null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 16:15:42 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: ./1vqs-1.8-parrot-hancs/1vqs-1.8-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./1vqs-1.8-parrot-hancs/1vqs-1.8-parrot-hancs.ins Phases from ./1vqs-1.8-parrot-hancs/1vqs-1.8-parrot-hancs.phi Native data from ./1vqs-1.8-parrot-hancs/1vqs-1.8-parrot-hancs.hkl Listing output to ./1vqs-1.8-parrot-hancs/1vqs-1.8-parrot-hancs.lst Phases output to ./1vqs-1.8-parrot-hancs/1vqs-1.8-parrot-hancs.phs Poly-Ala trace output to ./1vqs-1.8-parrot-hancs/1vqs-1.8-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: I 4 2 2 Allowed origin shift code: 10 64376 Reflections read from file ./1vqs-1.8-parrot-hancs/1vqs-1.8-parrot-hancs.phi 64376 Reflections read from file ./1vqs-1.8-parrot-hancs/1vqs-1.8-parrot-hancs.hkl 64376 Unique data, highest resolution = 1.800 Angstroms Anisotropic scaling: intensities multiplied by -0.000033h^2 -0.000033k^2 +0.000009l^2 +0.000000kl +0.000000hl +0.000000hk 36 Reflections with d > 2.000 and 0 in range 2.000 > d > 1.800 added Density sharpening factor set to 1.05 Fourier grid = 256 x 256 x 127 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|> = 0.761 = 0.300, Contrast = 0.430, Connect. = 0.758 for dens.mod. cycle 1 = 0.300, Contrast = 0.503, Connect. = 0.766 for dens.mod. cycle 2 = 0.300, Contrast = 0.584, Connect. = 0.784 for dens.mod. cycle 3 = 0.300, Contrast = 0.606, Connect. = 0.790 for dens.mod. cycle 4 = 0.300, Contrast = 0.617, Connect. = 0.794 for dens.mod. cycle 5 = 0.300, Contrast = 0.624, Connect. = 0.795 for dens.mod. cycle 6 = 0.300, Contrast = 0.628, Connect. = 0.797 for dens.mod. cycle 7 = 0.300, Contrast = 0.631, Connect. = 0.798 for dens.mod. cycle 8 = 0.300, Contrast = 0.632, Connect. = 0.798 for dens.mod. cycle 9 = 0.300, Contrast = 0.634, Connect. = 0.799 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3800 peaks > 0.5 sigma used to seed fragment search Space for about 746 unique residues taking solvent into account 815 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 56 65.092 2.299 1.078 0.648 0.964 0.782 CB 1.660 B: 65 66.832 2.321 1.000 0.600 0.969 0.734 CB 1.690 56 residues pruned to eliminate duplicates C: 78 60.398 2.266 1.082 0.542 0.870 0.636 CB 1.609 63 residues pruned to eliminate duplicates D: 14 24.570 2.171 0.653 0.752 0.923 0.538 CA 1.644 E: 70 58.261 2.207 1.028 0.573 0.913 0.652 CB 1.600 F: 65 65.539 2.260 1.063 0.601 0.969 0.719 CB 1.648 G: 17 35.612 2.005 1.387 0.663 1.000 0.688 CA 1.600 H: 50 45.986 2.110 0.949 0.622 0.918 0.776 CB 1.551 50 residues pruned to eliminate duplicates I: 16 29.689 2.210 1.449 0.610 0.867 0.600 CB 1.472 J: 70 61.719 2.218 1.089 0.583 0.942 0.725 CB 1.572 K: 12 23.052 1.964 1.356 0.667 0.818 0.818 CB 1.573 12 residues pruned to eliminate duplicates L: 35 44.832 2.189 1.102 0.710 0.912 0.500 CB 1.514 16 residues pruned to eliminate duplicates M: 65 70.169 2.343 1.098 0.594 0.953 0.688 CB 1.710 14 residues pruned to eliminate duplicates N: 62 60.974 2.228 1.074 0.607 0.934 0.672 CB 1.633 62 residues pruned to eliminate duplicates O: 65 71.252 2.325 1.036 0.596 0.984 0.688 CB 1.743 65 residues pruned to eliminate duplicates P: 66 58.414 2.206 0.977 0.581 0.938 0.692 CB 1.638 66 residues pruned to eliminate duplicates Q: 13 28.057 2.105 1.624 0.620 0.833 0.667 CB 1.572 13 residues pruned to eliminate duplicates R: 22 28.921 2.238 0.810 0.548 0.905 0.714 CB 1.643 23 residues pruned to eliminate duplicates S: 61 61.974 2.300 1.005 0.607 0.950 0.683 CB 1.650 61 residues pruned to eliminate duplicates T: 55 66.304 2.322 1.085 0.661 0.963 0.759 CB 1.667 55 residues pruned to eliminate duplicates U: 58 69.942 2.321 1.096 0.646 0.982 0.754 CB 1.691 57 residues pruned to eliminate duplicates V: 55 73.299 2.355 1.114 0.647 1.000 0.704 CB 1.746 55 residues pruned to eliminate duplicates W: 16 27.609 2.214 0.763 0.744 0.867 0.400 CA 1.694 16 residues pruned to eliminate duplicates X: 43 62.932 2.317 1.126 0.692 0.976 0.786 CB 1.695 43 residues pruned to eliminate duplicates Y: 63 53.729 2.231 0.846 0.584 0.952 0.742 CB 1.605 63 residues pruned to eliminate duplicates Z: 66 64.816 2.215 1.139 0.612 0.969 0.692 CB 1.575 64 residues pruned to eliminate duplicates Z: 15 30.544 1.943 1.057 0.861 1.000 0.929 CB 1.500 Z: 60 63.418 2.266 1.029 0.624 0.966 0.746 CB 1.654 60 residues pruned to eliminate duplicates Z: 19 24.505 1.941 1.074 0.516 0.944 0.500 CB 1.496 19 residues pruned to eliminate duplicates Z: 56 56.736 2.226 0.904 0.650 0.982 0.800 CB 1.599 56 residues pruned to eliminate duplicates Z: 16 21.543 2.152 0.472 0.793 0.867 0.733 CA 1.567 16 residues pruned to eliminate duplicates Z: 14 31.902 2.094 0.942 0.824 1.000 0.846 CB 1.644 14 residues pruned to eliminate duplicates Z: 26 38.876 2.198 1.470 0.692 0.760 0.600 CB 1.581 Z: 57 60.652 2.219 0.973 0.663 1.000 0.786 CB 1.592 57 residues pruned to eliminate duplicates Z: 16 25.474 2.081 1.500 0.574 0.867 0.600 CB 1.358 16 residues pruned to eliminate duplicates Z: 15 35.270 2.017 1.264 0.880 1.000 0.786 CB 1.496 Z: 17 33.298 2.106 1.304 0.605 0.938 0.688 C 1.657 17 residues pruned to eliminate duplicates Z: 15 30.401 1.983 0.949 0.905 1.000 0.929 CB 1.497 15 residues pruned to eliminate duplicates Z: 15 30.612 2.334 0.773 0.782 0.929 0.643 CA 1.659 15 residues pruned to eliminate duplicates Z: 16 24.049 2.180 0.563 0.798 0.933 0.600 CA 1.505 16 residues pruned to eliminate duplicates Z: 59 61.409 2.248 0.991 0.632 0.966 0.759 CB 1.648 59 residues pruned to eliminate duplicates Z: 15 30.690 1.961 1.090 0.913 0.929 0.929 CB 1.525 15 residues pruned to eliminate duplicates Z: 15 25.644 2.235 0.627 0.766 0.857 0.571 CA 1.736 15 residues pruned to eliminate duplicates Z: 57 59.064 2.195 1.085 0.655 0.964 0.821 CB 1.548 57 residues pruned to eliminate duplicates Z: 12 22.333 1.972 1.418 0.759 0.818 0.727 CA 1.372 Z: 60 64.189 2.214 1.108 0.636 0.983 0.763 CB 1.603 62 residues pruned to eliminate duplicates Z: 61 55.308 2.208 0.919 0.613 0.983 0.617 CB 1.540 61 residues pruned to eliminate duplicates Z: 39 45.980 2.068 1.194 0.671 0.921 0.658 CB 1.524 31 residues pruned to eliminate duplicates Z: 114 88.613 2.263 1.011 0.641 0.956 0.726 CB 1.679 163 residues pruned to eliminate duplicates Z: 41 46.471 2.144 1.225 0.647 0.900 0.700 CB 1.491 32 residues pruned to eliminate duplicates Z: 16 21.052 2.015 0.443 0.896 1.000 0.867 CA 1.339 16 residues pruned to eliminate duplicates Z: 61 67.172 2.273 1.096 0.610 0.967 0.733 CB 1.697 61 residues pruned to eliminate duplicates Z: 66 70.569 2.314 1.132 0.594 0.969 0.708 CB 1.674 66 residues pruned to eliminate duplicates Z: 15 27.367 2.305 0.432 0.773 1.000 0.571 CA 1.740 15 residues pruned to eliminate duplicates Z: 65 64.597 2.273 0.994 0.592 0.984 0.734 CB 1.658 65 residues pruned to eliminate duplicates Z: 17 17.486 1.970 0.593 0.779 0.750 0.688 CA 1.452 17 residues pruned to eliminate duplicates Z: 60 71.724 2.320 1.160 0.612 0.983 0.712 CB 1.705 60 residues pruned to eliminate duplicates Z: 66 66.765 2.304 1.086 0.587 0.954 0.631 CB 1.662 66 residues pruned to eliminate duplicates Z: 13 12.901 1.891 0.885 0.416 0.833 0.750 CB 1.369 13 residues pruned to eliminate duplicates Z: 16 26.513 2.118 0.477 0.882 1.000 0.733 CA 1.584 16 residues pruned to eliminate duplicates Z: 16 23.528 2.195 0.640 0.749 0.800 0.533 CA 1.689 16 residues pruned to eliminate duplicates Z: 14 29.220 2.107 1.058 0.882 0.923 0.846 CB 1.465 15 residues pruned to eliminate duplicates Z: 23 32.842 2.055 1.284 0.572 0.909 0.682 CB 1.531 21 residues pruned to eliminate duplicates Z: 14 32.636 2.138 1.350 0.883 1.000 0.769 CB 1.303 5 residues pruned to eliminate duplicates Z: 42 45.302 2.202 0.962 0.611 0.951 0.732 CB 1.549 42 residues pruned to eliminate duplicates Z: 52 42.535 2.121 1.185 0.532 0.863 0.608 CB 1.444 52 residues pruned to eliminate duplicates Z: 57 56.285 2.189 0.964 0.649 0.964 0.696 CB 1.579 57 residues pruned to eliminate duplicates Z: 37 39.737 2.024 1.232 0.577 0.861 0.639 CB 1.581 22 residues pruned to eliminate duplicates Z: 63 59.868 2.216 1.038 0.584 0.935 0.758 CB 1.660 63 residues pruned to eliminate duplicates Z: 85 66.578 2.172 0.955 0.648 0.952 0.690 CB 1.565 90 residues pruned to eliminate duplicates Z: 57 59.630 2.190 1.023 0.673 0.982 0.786 CB 1.562 57 residues pruned to eliminate duplicates Z: 70 64.420 2.277 0.989 0.571 0.971 0.667 CB 1.647 65 residues pruned to eliminate duplicates Z: 66 56.956 2.185 0.955 0.583 0.954 0.723 CB 1.601 66 residues pruned to eliminate duplicates Z: 34 46.177 2.154 1.334 0.668 0.909 0.485 CB 1.506 26 residues pruned to eliminate duplicates Z: 63 61.214 2.205 1.129 0.590 0.952 0.661 CB 1.596 63 residues pruned to eliminate duplicates Z: 10 12.767 1.979 0.224 0.819 0.889 0.667 CB 1.499 10 residues pruned to eliminate duplicates Z: 61 61.869 2.227 1.020 0.625 0.983 0.717 CB 1.604 61 residues pruned to eliminate duplicates Z: 54 58.131 2.276 1.124 0.599 0.925 0.774 CB 1.625 54 residues pruned to eliminate duplicates Z: 15 22.112 2.069 0.450 0.903 1.000 0.929 CA 1.405 15 residues pruned to eliminate duplicates Z: 10 5.928 1.843 1.478 0.203 0.556 0.333 CB 1.108 10 residues pruned to eliminate duplicates Z: 60 61.390 2.290 1.021 0.598 0.932 0.644 CB 1.686 60 residues pruned to eliminate duplicates Z: 68 64.254 2.250 1.054 0.597 0.970 0.761 CB 1.596 68 residues pruned to eliminate duplicates Z: 112 86.682 2.282 1.089 0.623 0.946 0.694 CB 1.625 177 residues pruned to eliminate duplicates Z: 39 41.720 2.077 1.120 0.651 0.895 0.579 CB 1.492 35 residues pruned to eliminate duplicates Z: 14 30.114 2.095 1.158 0.886 0.923 0.846 CB 1.445 Z: 68 60.362 2.179 1.043 0.584 0.970 0.716 CB 1.575 68 residues pruned to eliminate duplicates Z: 21 26.523 1.863 1.134 0.603 1.000 0.600 CB 1.353 21 residues pruned to eliminate duplicates Z: 17 20.702 1.922 0.547 0.883 1.000 0.812 CB 1.259 17 residues pruned to eliminate duplicates Z: 66 61.802 2.225 1.047 0.595 0.969 0.754 CB 1.586 66 residues pruned to eliminate duplicates Z: 33 24.746 2.022 1.139 0.354 0.812 0.500 CB 1.458 33 residues pruned to eliminate duplicates Z: 16 31.597 2.129 1.086 0.904 1.000 0.933 CA 1.308 16 residues pruned to eliminate duplicates Z: 63 54.229 2.154 0.987 0.601 0.952 0.742 CB 1.537 63 residues pruned to eliminate duplicates Z: 15 30.954 1.970 1.044 0.878 1.000 0.786 CB 1.492 15 residues pruned to eliminate duplicates Z: 14 31.239 2.337 0.605 0.816 1.000 0.692 CB 1.756 14 residues pruned to eliminate duplicates Z: 12 34.551 2.262 1.544 0.699 0.909 0.636 CA 1.660 Z: 19 29.546 2.017 1.205 0.586 0.944 0.667 CB 1.526 19 residues pruned to eliminate duplicates Z: 13 28.691 2.195 1.226 0.645 0.917 0.750 CA 1.615 13 residues pruned to eliminate duplicates Z: 51 45.261 2.110 0.878 0.613 0.960 0.660 CB 1.511 51 residues pruned to eliminate duplicates Z: 14 30.951 2.095 1.074 0.915 0.923 0.923 CB 1.512 Z: 76 66.075 2.198 1.161 0.602 0.933 0.653 CB 1.562 91 residues pruned to eliminate duplicates Z: 64 61.500 2.229 1.099 0.609 0.937 0.698 CB 1.596 64 residues pruned to eliminate duplicates Z: 65 70.157 2.297 1.139 0.603 0.984 0.750 CB 1.644 65 residues pruned to eliminate duplicates Z: 17 29.427 2.184 0.776 0.784 0.938 0.625 CA 1.575 17 residues pruned to eliminate duplicates Z: 10 9.811 2.121 1.133 0.363 0.556 0.444 CB 1.507 10 residues pruned to eliminate duplicates Z: 66 58.962 2.270 0.952 0.601 0.908 0.723 CB 1.651 66 residues pruned to eliminate duplicates Z: 122 94.225 2.274 1.113 0.603 0.959 0.719 CB 1.686 123 residues pruned to eliminate duplicates Z: 27 47.694 2.181 1.437 0.724 0.923 0.615 CB 1.559 22 residues pruned to eliminate duplicates Z: 58 54.865 2.180 0.958 0.640 0.982 0.754 CB 1.520 58 residues pruned to eliminate duplicates Z: 14 33.567 2.191 1.102 0.813 1.000 0.615 CB 1.540 14 residues pruned to eliminate duplicates Z: 27 37.675 2.101 1.319 0.670 0.808 0.500 CB 1.605 28 residues pruned to eliminate duplicates Z: 14 32.166 2.069 1.198 0.901 0.923 0.769 CB 1.516 14 residues pruned to eliminate duplicates Z: 12 32.694 2.209 1.505 0.737 1.000 1.000 CA 1.441 12 residues pruned to eliminate duplicates Z: 77 60.565 2.143 1.004 0.630 0.934 0.671 CB 1.533 98 residues pruned to eliminate duplicates Z: 71 59.666 2.220 1.003 0.563 0.943 0.671 CB 1.601 71 residues pruned to eliminate duplicates Z: 15 28.114 1.992 1.014 0.879 0.929 0.786 CB 1.462 15 residues pruned to eliminate duplicates Z: 62 61.471 2.271 1.044 0.604 0.951 0.672 CB 1.616 62 residues pruned to eliminate duplicates Z: 24 25.066 1.827 0.803 0.830 0.913 0.739 CB 1.307 15 residues pruned to eliminate duplicates Z: 11 18.217 1.844 0.945 0.831 1.000 0.600 CB 1.206 11 residues pruned to eliminate duplicates Z: 16 25.943 2.120 1.489 0.541 0.867 0.600 CB 1.408 16 residues pruned to eliminate duplicates Z: 62 59.011 2.231 0.992 0.595 0.951 0.689 CB 1.633 62 residues pruned to eliminate duplicates Z: 14 31.023 2.101 1.013 0.885 0.923 0.692 CB 1.592 14 residues pruned to eliminate duplicates Z: 14 39.517 2.247 1.111 0.938 1.000 0.846 CA 1.606 14 residues pruned to eliminate duplicates Z: 64 65.979 2.286 1.091 0.580 0.952 0.683 CB 1.691 64 residues pruned to eliminate duplicates Z: 55 64.129 2.231 1.100 0.671 1.000 0.759 CB 1.592 55 residues pruned to eliminate duplicates Z: 13 26.937 2.039 1.266 0.924 1.000 0.833 CB 1.182 13 residues pruned to eliminate duplicates Z: 17 24.815 1.956 0.654 0.894 1.000 0.812 CA 1.376 17 residues pruned to eliminate duplicates Z: 68 69.181 2.284 1.094 0.577 0.985 0.672 CB 1.666 68 residues pruned to eliminate duplicates Z: 66 60.704 2.233 0.887 0.601 0.985 0.692 CB 1.648 66 residues pruned to eliminate duplicates Z: 14 37.214 2.089 1.413 0.897 1.000 0.692 CB 1.466 14 residues pruned to eliminate duplicates Z: 55 61.336 2.221 1.081 0.664 0.981 0.833 CB 1.581 55 residues pruned to eliminate duplicates Z: 66 66.557 2.318 1.046 0.589 0.938 0.677 CB 1.704 66 residues pruned to eliminate duplicates Z: 61 57.141 2.204 1.005 0.615 0.950 0.767 CB 1.575 61 residues pruned to eliminate duplicates Z: 16 16.749 2.096 0.135 0.833 1.000 0.733 CA 1.363 16 residues pruned to eliminate duplicates Z: 62 60.275 2.292 0.920 0.598 0.951 0.689 CB 1.680 62 residues pruned to eliminate duplicates Z: 17 25.900 2.118 0.757 0.726 0.875 0.562 CA 1.622 17 residues pruned to eliminate duplicates Z: 66 73.437 2.313 1.149 0.600 0.985 0.708 CB 1.692 65 residues pruned to eliminate duplicates Z: 9 16.494 1.957 0.532 0.909 1.000 0.750 CB 1.380 9 residues pruned to eliminate duplicates Z: 67 54.753 2.173 0.928 0.589 0.924 0.636 CB 1.598 67 residues pruned to eliminate duplicates Z: 29 39.661 2.120 1.385 0.646 0.929 0.536 CB 1.392 29 residues pruned to eliminate duplicates Z: 36 38.811 2.113 1.114 0.701 0.829 0.629 CB 1.476 36 residues pruned to eliminate duplicates Z: 15 26.519 2.041 1.225 0.829 0.929 0.857 CB 1.264 15 residues pruned to eliminate duplicates Z: 16 27.387 2.019 0.793 0.923 1.000 0.667 CB 1.373 16 residues pruned to eliminate duplicates Z: 16 24.397 2.229 0.769 0.688 0.867 0.533 CB 1.551 16 residues pruned to eliminate duplicates Z: 23 31.932 2.010 0.938 0.861 0.864 0.636 CB 1.487 23 residues pruned to eliminate duplicates Z: 60 58.196 2.235 1.011 0.610 0.949 0.746 CB 1.599 60 residues pruned to eliminate duplicates Z: 15 34.754 2.155 1.155 0.937 0.929 0.714 CB 1.499 15 residues pruned to eliminate duplicates Z: 12 17.575 2.097 0.391 0.920 1.000 0.909 CB 1.278 12 residues pruned to eliminate duplicates Z: 10 19.415 2.116 0.582 0.794 0.889 0.667 CA 1.681 10 residues pruned to eliminate duplicates Z: 46 34.885 2.085 0.980 0.544 0.844 0.556 CB 1.428 39 residues pruned to eliminate duplicates Z: 15 38.312 2.199 1.110 0.936 1.000 0.857 CA 1.537 15 residues pruned to eliminate duplicates Z: 67 54.035 2.206 0.849 0.565 0.970 0.697 CB 1.580 67 residues pruned to eliminate duplicates Z: 14 28.851 2.021 1.226 0.822 0.923 0.846 CA 1.457 14 residues pruned to eliminate duplicates Z: 16 21.567 2.081 0.527 0.841 0.867 0.600 CA 1.509 16 residues pruned to eliminate duplicates Z: 15 20.543 2.162 0.213 0.802 1.000 0.714 CB 1.608 15 residues pruned to eliminate duplicates Z: 13 21.200 2.046 0.552 0.781 0.917 0.667 CA 1.641 13 residues pruned to eliminate duplicates Z: 17 19.100 1.996 0.413 0.802 0.938 0.750 CA 1.387 17 residues pruned to eliminate duplicates Z: 16 20.071 2.104 0.312 0.837 1.000 0.867 CA 1.404 16 residues pruned to eliminate duplicates Z: 16 28.311 2.036 0.846 0.924 1.000 0.800 CB 1.366 16 residues pruned to eliminate duplicates Z: 15 29.380 2.090 0.704 0.938 1.000 0.929 CB 1.534 15 residues pruned to eliminate duplicates Z: 14 25.307 2.134 1.159 0.686 0.923 0.692 CB 1.391 14 residues pruned to eliminate duplicates Z: 13 29.409 2.133 0.889 0.884 1.000 0.667 CB 1.522 13 residues pruned to eliminate duplicates Z: 66 59.027 2.209 0.986 0.589 0.938 0.631 CB 1.633 66 residues pruned to eliminate duplicates Z: 67 56.255 2.162 0.934 0.584 0.955 0.652 CB 1.601 67 residues pruned to eliminate duplicates Z: 24 24.770 1.960 0.813 0.746 0.826 0.609 CB 1.412 24 residues pruned to eliminate duplicates Z: 15 31.074 2.019 0.907 0.890 1.000 0.714 CB 1.552 15 residues pruned to eliminate duplicates Z: 15 17.975 2.040 0.345 0.861 0.929 0.571 CA 1.385 15 residues pruned to eliminate duplicates Z: 14 34.742 2.093 1.201 0.834 1.000 0.769 CB 1.568 14 residues pruned to eliminate duplicates Z: 24 25.188 1.937 0.801 0.800 0.913 0.522 CB 1.268 24 residues pruned to eliminate duplicates Z: 12 33.305 2.139 1.285 0.934 1.000 1.000 CB 1.433 Z: 16 26.347 2.049 0.750 0.918 1.000 0.800 CB 1.338 16 residues pruned to eliminate duplicates Z: 15 34.361 2.206 0.949 0.924 1.000 0.857 CA 1.500 15 residues pruned to eliminate duplicates Z: 66 60.436 2.218 0.964 0.588 0.954 0.677 CB 1.659 66 residues pruned to eliminate duplicates Z: 15 27.798 1.996 1.016 0.822 1.000 0.929 CB 1.397 15 residues pruned to eliminate duplicates Z: 15 34.634 2.066 1.132 0.894 1.000 0.786 CB 1.508 15 residues pruned to eliminate duplicates Z: 67 61.839 2.186 1.055 0.603 0.970 0.742 CB 1.584 67 residues pruned to eliminate duplicates Z: 7 7.671 1.957 0.647 0.335 0.833 0.500 CA 1.396 7 residues pruned to eliminate duplicates Z: 10 14.302 1.909 1.378 0.365 0.889 0.556 CB 1.365 Z: 17 19.447 2.005 0.411 0.782 0.875 0.500 CB 1.531 17 residues pruned to eliminate duplicates Z: 17 30.937 1.969 1.022 0.851 1.000 0.812 CB 1.438 17 residues pruned to eliminate duplicates Z: 69 63.366 2.291 1.025 0.574 0.971 0.662 CB 1.589 69 residues pruned to eliminate duplicates Z: 14 36.252 2.239 0.914 0.956 1.000 1.000 CB 1.611 14 residues pruned to eliminate duplicates Z: 15 32.057 2.189 0.950 0.930 0.929 0.929 CA 1.512 15 residues pruned to eliminate duplicates Z: 11 14.740 1.859 0.682 0.846 1.000 0.700 CB 1.108 11 residues pruned to eliminate duplicates Z: 19 26.242 2.004 1.087 0.499 0.944 0.667 CB 1.567 19 residues pruned to eliminate duplicates Z: 66 63.028 2.286 1.027 0.582 0.969 0.754 CB 1.609 66 residues pruned to eliminate duplicates Z: 15 32.867 2.311 0.729 0.797 1.000 0.786 CB 1.695 15 residues pruned to eliminate duplicates Z: 63 58.255 2.186 0.965 0.603 0.968 0.694 CB 1.613 63 residues pruned to eliminate duplicates Z: 11 17.514 1.900 1.022 0.791 0.900 0.800 CB 1.241 11 residues pruned to eliminate duplicates Z: 40 39.515 2.069 1.034 0.639 0.872 0.538 CB 1.515 52 residues pruned to eliminate duplicates Z: 58 52.203 2.165 0.894 0.616 0.947 0.684 CB 1.594 58 residues pruned to eliminate duplicates Z: 11 12.805 1.756 0.621 0.798 1.000 0.600 CB 1.096 Z: 16 23.580 1.990 0.555 0.902 1.000 0.667 CA 1.404 16 residues pruned to eliminate duplicates Z: 15 26.269 2.268 0.617 0.757 0.857 0.643 CB 1.777 15 residues pruned to eliminate duplicates Z: 13 35.125 2.230 1.192 0.895 1.000 0.833 CB 1.487 13 residues pruned to eliminate duplicates Z: 16 21.091 2.227 0.767 0.687 0.733 0.400 CA 1.590 16 residues pruned to eliminate duplicates Z: 57 46.463 2.181 0.660 0.610 0.982 0.643 CB 1.573 57 residues pruned to eliminate duplicates Z: 14 28.802 2.134 0.751 0.936 1.000 0.769 CB 1.489 14 residues pruned to eliminate duplicates Z: 27 52.396 2.302 1.229 0.759 0.962 0.885 CB 1.654 27 residues pruned to eliminate duplicates Z: 64 61.534 2.243 1.101 0.604 0.921 0.714 CB 1.618 64 residues pruned to eliminate duplicates Z: 14 34.865 2.186 1.132 0.895 1.000 0.692 CB 1.488 14 residues pruned to eliminate duplicates Z: 51 46.957 2.144 1.101 0.606 0.920 0.660 CB 1.449 51 residues pruned to eliminate duplicates Z: 66 59.568 2.206 1.011 0.591 0.954 0.769 CB 1.601 66 residues pruned to eliminate duplicates Z: 65 60.364 2.203 1.064 0.593 0.969 0.719 CB 1.566 64 residues pruned to eliminate duplicates Z: 44 51.523 2.180 1.037 0.662 0.977 0.744 CB 1.559 44 residues pruned to eliminate duplicates Z: 12 16.493 1.882 0.869 0.819 0.909 0.727 CB 1.179 12 residues pruned to eliminate duplicates Z: 65 56.667 2.188 0.930 0.586 0.969 0.656 CB 1.594 65 residues pruned to eliminate duplicates Z: 16 15.693 1.826 0.407 0.858 0.933 0.533 CB 1.245 16 residues pruned to eliminate duplicates Z: 66 59.890 2.240 0.977 0.596 0.954 0.769 CB 1.605 66 residues pruned to eliminate duplicates Z: 14 32.459 2.144 1.076 0.875 1.000 0.769 CB 1.471 14 residues pruned to eliminate duplicates Z: 13 22.596 2.213 0.366 0.816 0.917 0.667 CB 1.789 13 residues pruned to eliminate duplicates Z: 50 59.587 2.270 1.080 0.640 0.959 0.694 CB 1.650 50 residues pruned to eliminate duplicates Z: 36 42.509 2.144 1.120 0.690 0.857 0.743 CB 1.551 47 residues pruned to eliminate duplicates Z: 12 31.203 2.224 0.845 0.898 1.000 1.000 CB 1.640 12 residues pruned to eliminate duplicates Z: 16 24.180 1.969 0.628 0.920 1.000 0.933 CA 1.372 16 residues pruned to eliminate duplicates Z: 27 40.416 2.097 1.389 0.649 0.962 0.692 CB 1.432 27 residues pruned to eliminate duplicates Z: 65 64.857 2.204 1.160 0.611 0.953 0.844 CB 1.608 65 residues pruned to eliminate duplicates Z: 16 20.865 2.009 0.627 0.741 0.933 0.400 CA 1.423 16 residues pruned to eliminate duplicates Z: 14 30.038 2.017 1.081 0.873 1.000 0.846 CB 1.446 14 residues pruned to eliminate duplicates Z: 61 59.031 2.230 0.923 0.624 0.967 0.783 CB 1.636 61 residues pruned to eliminate duplicates Z: 15 32.587 2.122 0.985 0.880 1.000 0.786 CB 1.498 15 residues pruned to eliminate duplicates Z: 14 32.431 2.210 0.908 0.949 1.000 0.923 CB 1.472 14 residues pruned to eliminate duplicates Z: 66 61.068 2.211 1.153 0.596 0.954 0.677 CB 1.522 66 residues pruned to eliminate duplicates Z: 15 35.680 2.061 1.279 0.862 1.000 0.857 CB 1.492 15 residues pruned to eliminate duplicates Z: 16 26.996 2.015 0.875 0.920 0.933 0.933 CB 1.392 16 residues pruned to eliminate duplicates Z: 27 40.536 2.132 1.212 0.687 0.885 0.615 CB 1.605 27 residues pruned to eliminate duplicates Z: 13 15.254 1.805 0.722 0.778 0.917 0.667 CB 1.209 13 residues pruned to eliminate duplicates Z: 65 62.155 2.252 1.064 0.564 0.969 0.672 CB 1.622 65 residues pruned to eliminate duplicates Z: 15 27.163 2.089 0.768 0.939 1.000 0.857 CB 1.366 15 residues pruned to eliminate duplicates Z: 66 65.998 2.272 1.063 0.601 0.938 0.738 CB 1.690 66 residues pruned to eliminate duplicates Z: 60 57.909 2.203 0.946 0.614 0.966 0.763 CB 1.634 60 residues pruned to eliminate duplicates Z: 64 64.134 2.297 1.006 0.574 0.968 0.714 CB 1.686 64 residues pruned to eliminate duplicates Z: 15 30.770 2.188 0.819 0.921 1.000 0.929 CA 1.454 15 residues pruned to eliminate duplicates Z: 16 25.855 2.074 0.732 0.932 0.933 0.867 CB 1.391 16 residues pruned to eliminate duplicates Z: 16 30.163 2.153 0.908 0.886 1.000 0.733 CA 1.367 16 residues pruned to eliminate duplicates Z: 13 29.970 2.136 0.883 0.899 1.000 0.917 CB 1.538 13 residues pruned to eliminate duplicates Z: 13 36.609 2.237 1.208 0.896 1.000 0.833 CB 1.532 13 residues pruned to eliminate duplicates Z: 24 30.912 1.943 0.921 0.846 0.913 0.652 CB 1.405 24 residues pruned to eliminate duplicates Z: 62 53.238 2.166 0.936 0.587 0.967 0.672 CB 1.547 62 residues pruned to eliminate duplicates Z: 8 8.768 2.018 1.139 0.438 0.714 0.571 CB 1.147 7 residues pruned to eliminate duplicates Z: 16 33.548 1.969 1.310 0.884 1.000 0.800 CB 1.375 16 residues pruned to eliminate duplicates Z: 19 31.383 2.325 1.195 0.473 0.889 0.833 CB 1.676 Z: 14 27.841 2.092 0.909 0.946 1.000 0.923 CB 1.337 14 residues pruned to eliminate duplicates Z: 17 32.622 2.230 1.079 0.534 1.000 0.625 CB 1.701 17 residues pruned to eliminate duplicates Z: 14 29.731 2.127 0.771 0.923 1.000 0.615 CB 1.537 14 residues pruned to eliminate duplicates Z: 63 59.121 2.197 0.984 0.615 0.968 0.710 CB 1.597 62 residues pruned to eliminate duplicates Z: 45 46.048 2.097 1.157 0.639 0.932 0.545 CB 1.445 45 residues pruned to eliminate duplicates Z: 12 25.061 2.265 0.649 0.793 0.909 0.545 CB 1.721 12 residues pruned to eliminate duplicates Z: 70 57.900 2.212 0.929 0.587 0.957 0.783 CB 1.571 70 residues pruned to eliminate duplicates Z: 12 19.583 1.883 0.928 0.741 0.909 0.545 CB 1.441 12 residues pruned to eliminate duplicates Z: 17 19.759 1.959 0.450 0.769 0.938 0.625 CB 1.462 17 residues pruned to eliminate duplicates Z: 14 19.930 2.280 0.336 0.798 0.846 0.846 CB 1.651 14 residues pruned to eliminate duplicates Z: 21 35.664 1.971 1.241 0.872 0.950 0.700 CB 1.386 21 residues pruned to eliminate duplicates Z: 11 26.215 2.105 1.296 0.759 0.900 0.900 CB 1.514 11 residues pruned to eliminate duplicates Z: 15 32.145 2.064 1.085 0.893 1.000 0.714 CB 1.433 15 residues pruned to eliminate duplicates Z: 58 43.375 2.147 1.116 0.493 0.825 0.526 CB 1.543 116 residues pruned to eliminate duplicates Z: 11 15.163 1.917 0.592 0.743 0.900 0.600 CB 1.404 11 residues pruned to eliminate duplicates Z: 117 81.733 2.250 0.945 0.611 0.966 0.690 CB 1.616 117 residues pruned to eliminate duplicates Z: 9 16.683 2.041 0.785 0.802 1.000 0.875 CA 1.244 Z: 10 17.281 1.899 0.675 0.835 1.000 0.778 CB 1.357 Z: 15 10.653 2.067 0.921 0.278 0.643 0.429 CB 1.434 15 residues pruned to eliminate duplicates Z: 14 28.333 2.034 1.168 0.865 1.000 0.923 CB 1.305 Z: 13 29.813 2.211 1.014 0.897 1.000 0.917 CB 1.383 13 residues pruned to eliminate duplicates Z: 38 36.704 2.068 1.199 0.653 0.838 0.514 CB 1.374 38 residues pruned to eliminate duplicates Z: 59 66.229 2.293 1.087 0.637 0.966 0.672 CB 1.656 59 residues pruned to eliminate duplicates Z: 15 29.833 2.019 1.047 0.913 1.000 0.786 CB 1.365 15 residues pruned to eliminate duplicates Z: 14 18.852 2.059 0.404 0.938 1.000 0.846 CB 1.258 14 residues pruned to eliminate duplicates Z: 55 57.766 2.208 1.023 0.661 0.981 0.759 CB 1.543 55 residues pruned to eliminate duplicates Z: 16 26.349 2.099 0.700 0.897 1.000 0.867 CB 1.365 35 residues pruned to eliminate duplicates Z: 25 30.524 1.995 1.037 0.612 0.917 0.792 CB 1.503 Z: 66 56.306 2.205 0.908 0.574 0.954 0.662 CB 1.620 66 residues pruned to eliminate duplicates Z: 8 31.186 2.215 1.423 0.873 1.000 0.857 CB 1.600 9 residues pruned to eliminate duplicates Z: 9 14.090 1.969 0.763 0.823 0.875 0.625 CB 1.240 9 residues pruned to eliminate duplicates Z: 12 12.250 1.785 0.756 0.753 0.909 0.727 CB 1.034 12 residues pruned to eliminate duplicates Z: 14 26.650 2.086 0.822 0.951 1.000 1.000 CB 1.340 14 residues pruned to eliminate duplicates Z: 67 61.089 2.208 1.014 0.589 0.970 0.682 CB 1.602 67 residues pruned to eliminate duplicates Z: 17 33.055 2.171 1.198 0.656 1.000 0.500 CB 1.498 14 residues pruned to eliminate duplicates Z: 18 35.251 2.077 1.372 0.606 0.941 0.765 CA 1.668 Z: 59 61.492 2.204 1.050 0.628 0.966 0.707 CB 1.640 59 residues pruned to eliminate duplicates Z: 16 30.040 2.189 0.650 0.792 1.000 0.667 CA 1.662 16 residues pruned to eliminate duplicates Z: 13 29.175 2.131 1.087 0.884 1.000 0.833 CB 1.368 13 residues pruned to eliminate duplicates Z: 17 31.019 1.997 0.990 0.888 1.000 0.750 CA 1.405 17 residues pruned to eliminate duplicates Z: 9 15.609 2.032 0.586 0.839 1.000 0.500 CB 1.279 9 residues pruned to eliminate duplicates Z: 65 58.603 2.253 0.918 0.573 0.969 0.703 CB 1.631 65 residues pruned to eliminate duplicates Z: 64 67.162 2.247 1.147 0.614 0.968 0.810 CB 1.626 64 residues pruned to eliminate duplicates Z: 15 32.268 2.349 0.858 0.744 0.929 0.571 CA 1.710 15 residues pruned to eliminate duplicates Z: 14 31.247 2.019 1.139 0.901 1.000 0.846 CA 1.432 14 residues pruned to eliminate duplicates Z: 63 55.993 2.208 0.967 0.598 0.952 0.661 CB 1.566 63 residues pruned to eliminate duplicates Z: 14 12.444 2.034 0.853 0.285 0.846 0.385 CB 1.379 14 residues pruned to eliminate duplicates Z: 61 59.054 2.198 1.040 0.620 0.950 0.650 CB 1.598 61 residues pruned to eliminate duplicates Z: 58 52.613 2.108 1.162 0.578 0.930 0.544 CB 1.525 92 residues pruned to eliminate duplicates Z: 21 32.066 2.114 1.125 0.801 0.950 0.600 CB 1.291 21 residues pruned to eliminate duplicates Z: 65 63.509 2.259 1.071 0.606 0.953 0.719 CB 1.609 65 residues pruned to eliminate duplicates Z: 27 40.403 2.112 1.288 0.687 0.885 0.769 CB 1.562 Z: 16 27.135 2.027 0.913 0.915 1.000 0.867 CB 1.277 16 residues pruned to eliminate duplicates Z: 68 59.766 2.207 0.945 0.604 0.970 0.701 CB 1.589 68 residues pruned to eliminate duplicates Z: 9 11.265 1.956 1.302 0.284 0.875 0.500 CB 1.289 9 residues pruned to eliminate duplicates Z: 9 14.690 1.986 0.491 0.833 0.875 0.625 CA 1.503 9 residues pruned to eliminate duplicates Z: 66 58.751 2.252 1.001 0.577 0.938 0.677 CB 1.600 66 residues pruned to eliminate duplicates Z: 9 15.528 1.941 0.614 0.857 1.000 0.875 CB 1.292 9 residues pruned to eliminate duplicates Z: 6 8.554 1.949 0.635 0.588 0.800 0.600 CA 1.379 6 residues pruned to eliminate duplicates Z: 16 19.015 1.985 0.463 0.821 0.933 0.733 CA 1.372 16 residues pruned to eliminate duplicates Z: 15 24.211 2.067 0.608 0.932 1.000 0.929 CB 1.360 15 residues pruned to eliminate duplicates Z: 61 53.200 2.280 0.887 0.591 0.933 0.733 CB 1.569 61 residues pruned to eliminate duplicates Z: 36 49.866 2.264 1.224 0.615 0.943 0.771 CB 1.592 36 residues pruned to eliminate duplicates Z: 14 29.042 2.072 1.138 0.825 1.000 0.615 CB 1.373 14 residues pruned to eliminate duplicates Z: 21 30.949 2.166 1.377 0.515 0.850 0.650 CB 1.558 21 residues pruned to eliminate duplicates Z: 17 20.725 2.008 0.402 0.778 0.938 0.625 CA 1.537 17 residues pruned to eliminate duplicates Z: 9 25.357 1.918 1.352 0.832 1.000 0.625 CA 1.492 9 residues pruned to eliminate duplicates Z: 16 13.604 1.980 0.297 0.852 0.800 0.667 CA 1.265 16 residues pruned to eliminate duplicates Z: 67 63.860 2.260 1.059 0.581 0.955 0.682 CB 1.637 67 residues pruned to eliminate duplicates Z: 17 30.714 2.049 1.044 0.930 0.938 0.625 CA 1.368 17 residues pruned to eliminate duplicates Z: 15 25.185 2.174 1.341 0.552 0.786 0.643 CB 1.600 Z: 60 51.922 2.226 0.906 0.588 0.932 0.746 CB 1.571 60 residues pruned to eliminate duplicates 6 1.668 1.542 0.028 0.412 0.800 0.400 CB 0.645 ? Z: 11 17.307 1.845 1.026 0.882 1.000 0.600 CB 1.060 11 residues pruned to eliminate duplicates Z: 49 52.710 2.205 1.060 0.641 0.938 0.646 CB 1.565 49 residues pruned to eliminate duplicates Z: 15 35.168 2.095 1.127 0.927 1.000 0.786 CB 1.479 15 residues pruned to eliminate duplicates Z: 16 21.083 1.961 0.620 0.866 0.933 0.867 CA 1.344 16 residues pruned to eliminate duplicates Z: 11 14.436 1.988 0.763 0.414 1.000 0.400 CA 1.425 10 residues pruned to eliminate duplicates Z: 15 22.152 2.048 0.614 0.782 1.000 0.643 CB 1.397 15 residues pruned to eliminate duplicates Z: 50 61.641 2.292 1.183 0.622 0.959 0.673 CB 1.635 50 residues pruned to eliminate duplicates Z: 14 26.601 2.099 0.854 0.939 0.923 0.923 CA 1.426 14 residues pruned to eliminate duplicates Z: 15 35.911 2.065 1.176 0.895 1.000 0.786 CB 1.531 16 residues pruned to eliminate duplicates Z: 11 14.351 1.876 0.576 0.845 0.900 0.400 CB 1.269 Z: 14 23.240 2.306 0.342 0.809 0.923 0.538 CB 1.723 14 residues pruned to eliminate duplicates Z: 14 30.674 2.136 1.049 0.874 1.000 0.846 CB 1.415 14 residues pruned to eliminate duplicates Z: 7 10.119 2.128 0.871 0.532 0.833 0.333 CB 1.207 7 residues pruned to eliminate duplicates Z: 18 32.381 2.144 1.136 0.555 1.000 0.647 CB 1.626 18 residues pruned to eliminate duplicates Z: 13 24.097 2.002 1.409 0.579 0.833 0.667 C 1.604 Z: 69 61.623 2.204 1.020 0.586 0.971 0.691 CB 1.592 69 residues pruned to eliminate duplicates Z: 12 15.766 1.784 0.859 0.821 0.818 0.455 CB 1.326 12 residues pruned to eliminate duplicates Z: 9 9.058 1.729 0.408 0.883 0.875 0.625 CB 1.087 9 residues pruned to eliminate duplicates Z: 11 21.422 1.909 1.116 0.903 0.900 0.600 CB 1.328 11 residues pruned to eliminate duplicates Z: 64 50.956 2.147 0.924 0.622 0.905 0.730 CB 1.531 64 residues pruned to eliminate duplicates Z: 15 19.808 2.097 0.222 0.865 1.000 0.786 CA 1.514 15 residues pruned to eliminate duplicates Z: 11 13.337 1.726 0.564 0.854 1.000 0.500 CB 1.153 11 residues pruned to eliminate duplicates Z: 78 66.953 2.221 1.038 0.650 0.935 0.688 CB 1.568 93 residues pruned to eliminate duplicates Z: 15 30.163 2.072 0.980 0.929 1.000 0.929 CB 1.375 15 residues pruned to eliminate duplicates Z: 11 13.958 2.042 0.519 0.740 0.700 0.400 CB 1.639 11 residues pruned to eliminate duplicates Z: 13 34.764 2.095 1.197 0.925 1.000 0.917 CA 1.530 13 residues pruned to eliminate duplicates Z: 19 34.090 2.213 1.243 0.540 0.944 0.778 CB 1.648 19 residues pruned to eliminate duplicates Z: 13 26.564 2.045 1.431 0.660 0.917 0.750 CA 1.451 13 residues pruned to eliminate duplicates Z: 12 10.191 1.658 0.380 0.827 0.909 0.727 CB 1.114 12 residues pruned to eliminate duplicates Z: 17 21.076 1.878 0.561 0.925 1.000 0.938 CB 1.261 17 residues pruned to eliminate duplicates Z: 12 29.621 2.202 1.329 0.741 0.909 0.818 CA 1.544 12 residues pruned to eliminate duplicates Z: 6 3.354 1.513 0.560 0.394 0.600 0.600 CB 1.184 6 residues pruned to eliminate duplicates Z: 9 10.581 1.935 0.420 0.826 0.750 0.750 CB 1.370 9 residues pruned to eliminate duplicates Z: 13 11.218 1.855 0.451 0.721 0.833 0.583 CB 1.183 13 residues pruned to eliminate duplicates Z: 13 33.531 2.099 1.257 0.873 1.000 0.833 CA 1.487 13 residues pruned to eliminate duplicates Z: 14 27.513 2.296 0.659 0.729 0.923 0.538 CA 1.766 14 residues pruned to eliminate duplicates Z: 15 16.195 2.045 0.375 0.747 0.857 0.500 CB 1.440 15 residues pruned to eliminate duplicates Z: 15 14.937 2.033 0.366 0.785 0.786 0.500 CB 1.424 15 residues pruned to eliminate duplicates Z: 10 10.008 1.942 0.696 0.401 0.889 0.444 CB 1.264 10 residues pruned to eliminate duplicates Z: 8 10.957 1.856 0.499 0.800 0.857 0.857 CB 1.336 8 residues pruned to eliminate duplicates Z: 51 45.138 2.082 0.858 0.597 0.980 0.520 CB 1.535 51 residues pruned to eliminate duplicates Z: 9 5.044 1.863 -0.203 0.550 0.750 0.250 N 1.525 Z: 14 25.078 1.928 1.132 0.868 0.923 0.846 CB 1.341 14 residues pruned to eliminate duplicates Z: 10 10.994 1.891 0.954 0.458 0.889 0.556 CB 1.164 7 residues pruned to eliminate duplicates Z: 9 11.270 1.892 0.439 0.766 1.000 0.750 CB 1.156 9 residues pruned to eliminate duplicates Z: 62 68.667 2.324 1.074 0.601 0.967 0.754 CB 1.712 62 residues pruned to eliminate duplicates Z: 16 19.241 1.982 0.691 0.763 0.933 0.600 CB 1.258 16 residues pruned to eliminate duplicates Z: 14 20.735 2.198 0.366 0.775 0.923 0.538 CA 1.627 14 residues pruned to eliminate duplicates Z: 27 45.443 2.167 1.099 0.734 1.000 0.462 CB 1.588 27 residues pruned to eliminate duplicates Z: 17 28.780 1.969 0.976 0.906 1.000 0.938 CB 1.316 17 residues pruned to eliminate duplicates Z: 66 54.105 2.189 0.913 0.573 0.938 0.708 CB 1.591 66 residues pruned to eliminate duplicates Z: 11 17.180 1.852 0.897 0.854 1.000 0.800 CB 1.142 10 residues pruned to eliminate duplicates Z: 14 29.747 2.020 1.198 0.876 0.923 0.615 CB 1.463 14 residues pruned to eliminate duplicates Z: 13 12.087 1.831 0.376 0.857 0.917 0.667 CB 1.113 13 residues pruned to eliminate duplicates Z: 13 11.545 1.921 0.968 0.272 0.833 0.417 CB 1.369 24 residues pruned to eliminate duplicates Z: 40 30.961 2.058 1.020 0.544 0.846 0.641 CB 1.350 38 residues pruned to eliminate duplicates Z: 6 7.732 1.826 0.354 0.580 1.000 0.600 CA 1.295 Z: 14 30.724 2.182 1.190 0.853 1.000 0.923 CB 1.319 14 residues pruned to eliminate duplicates Z: 21 26.687 1.946 0.778 0.858 0.950 0.600 CB 1.336 32 residues pruned to eliminate duplicates Z: 12 16.774 1.853 0.588 0.834 1.000 0.455 CA 1.289 12 residues pruned to eliminate duplicates Z: 9 4.724 1.709 -0.113 0.431 0.750 0.375 O 1.579 Z: 12 21.702 1.889 0.908 0.825 1.000 0.545 CB 1.370 12 residues pruned to eliminate duplicates Z: 18 24.693 2.134 1.078 0.648 0.941 0.588 CB 1.250 18 residues pruned to eliminate duplicates Z: 19 21.069 1.888 1.071 0.590 0.833 0.556 CB 1.398 19 residues pruned to eliminate duplicates Z: 13 13.024 2.113 0.010 0.828 0.833 0.583 CB 1.593 13 residues pruned to eliminate duplicates Z: 10 11.349 2.159 0.650 0.306 0.778 0.333 CB 1.694 10 residues pruned to eliminate duplicates Z: 8 15.032 2.032 0.675 0.839 1.000 0.286 CB 1.246 8 residues pruned to eliminate duplicates Z: 28 36.374 2.205 0.943 0.630 0.926 0.667 CB 1.562 28 residues pruned to eliminate duplicates Z: 13 16.964 2.080 0.525 0.823 0.833 0.667 CB 1.400 13 residues pruned to eliminate duplicates Z: 14 27.627 2.033 0.783 0.867 1.000 0.692 CA 1.546 14 residues pruned to eliminate duplicates Z: 10 13.023 2.050 0.271 0.869 0.889 0.667 CB 1.369 10 residues pruned to eliminate duplicates Z: 28 30.391 2.082 0.850 0.695 0.926 0.519 CB 1.373 28 residues pruned to eliminate duplicates Z: 10 14.221 2.032 0.794 0.507 1.000 0.444 CB 1.290 10 residues pruned to eliminate duplicates Z: 58 39.642 2.098 1.037 0.495 0.860 0.596 CB 1.436 90 residues pruned to eliminate duplicates Z: 16 30.294 1.997 1.026 0.878 1.000 0.667 CB 1.403 Z: 16 24.451 2.013 0.696 0.925 1.000 1.000 CB 1.298 16 residues pruned to eliminate duplicates Z: 15 23.948 1.988 1.092 0.862 0.786 0.571 CB 1.438 15 residues pruned to eliminate duplicates Z: 13 34.081 2.186 1.082 0.868 1.000 0.917 CB 1.580 13 residues pruned to eliminate duplicates Z: 15 29.033 2.086 0.821 0.939 1.000 0.929 CB 1.419 15 residues pruned to eliminate duplicates Z: 15 30.850 1.974 1.145 0.899 1.000 0.857 CB 1.392 15 residues pruned to eliminate duplicates Z: 16 26.627 2.067 1.297 0.667 0.800 0.667 CB 1.551 16 residues pruned to eliminate duplicates Z: 36 44.800 2.167 1.184 0.698 0.857 0.629 CB 1.558 16 residues pruned to eliminate duplicates Z: 11 25.542 2.163 1.249 0.759 0.900 0.900 CA 1.465 11 residues pruned to eliminate duplicates Z: 16 24.751 2.122 0.712 0.877 0.933 0.733 CA 1.369 16 residues pruned to eliminate duplicates Z: 10 18.709 2.003 0.601 0.855 1.000 0.556 CB 1.436 10 residues pruned to eliminate duplicates Z: 13 30.340 2.029 0.957 0.902 1.000 1.000 CB 1.573 13 residues pruned to eliminate duplicates Z: 15 18.482 2.010 0.631 0.832 0.857 0.786 CB 1.320 15 residues pruned to eliminate duplicates Z: 14 30.964 2.088 1.155 0.954 1.000 1.000 CB 1.313 14 residues pruned to eliminate duplicates Z: 33 31.574 2.028 1.036 0.545 0.875 0.719 CB 1.478 32 residues pruned to eliminate duplicates Z: 16 13.488 1.922 0.302 0.730 0.867 0.733 CB 1.306 16 residues pruned to eliminate duplicates Z: 9 6.240 1.519 0.359 0.517 0.875 0.750 C 1.200 Z: 62 57.884 2.180 0.990 0.615 0.967 0.721 CB 1.584 62 residues pruned to eliminate duplicates Z: 49 55.319 2.203 1.058 0.632 0.979 0.667 CB 1.590 49 residues pruned to eliminate duplicates Z: 10 6.006 1.454 0.363 0.558 1.000 0.778 CB 0.955 Z: 14 31.172 2.081 1.180 0.950 1.000 0.923 CB 1.314 14 residues pruned to eliminate duplicates Z: 29 35.060 2.216 1.008 0.511 0.893 0.679 CB 1.648 29 residues pruned to eliminate duplicates Z: 6 2.356 1.642 0.477 0.299 0.800 0.600 N 0.679 Z: 56 49.289 2.134 0.939 0.619 0.964 0.745 CB 1.489 56 residues pruned to eliminate duplicates Z: 10 9.174 1.808 0.759 0.732 0.667 0.333 CB 1.170 10 residues pruned to eliminate duplicates Z: 12 33.019 2.136 1.203 0.926 1.000 1.000 CB 1.484 13 residues pruned to eliminate duplicates Z: 12 21.102 2.093 0.700 0.817 0.909 0.636 CB 1.493 12 residues pruned to eliminate duplicates Z: 15 13.601 1.844 0.480 0.836 0.929 0.714 CB 1.074 15 residues pruned to eliminate duplicates Z: 10 18.772 1.926 0.926 0.829 1.000 0.778 CB 1.269 10 residues pruned to eliminate duplicates Z: 10 5.921 1.602 0.248 0.559 0.778 0.556 C 1.198 Z: 10 8.045 1.964 0.988 0.289 0.667 0.556 CB 1.306 Z: 50 53.724 2.187 0.982 0.651 0.980 0.694 CB 1.571 50 residues pruned to eliminate duplicates Z: 9 8.649 1.800 0.346 0.843 0.875 0.625 CB 1.074 9 residues pruned to eliminate duplicates Z: 6 2.547 1.521 0.618 0.441 0.600 0.400 CB 0.819 Z: 9 5.007 1.680 -0.096 0.505 0.875 0.625 CB 1.325 Z: 12 35.653 2.190 1.599 0.796 0.909 0.909 CB 1.603 13 residues pruned to eliminate duplicates Z: 45 43.102 2.188 1.228 0.612 0.841 0.614 CB 1.425 45 residues pruned to eliminate duplicates Z: 13 27.100 2.199 1.022 0.742 0.917 0.583 CB 1.546 13 residues pruned to eliminate duplicates Z: 12 14.697 2.054 0.960 0.391 0.818 0.636 CB 1.510 12 residues pruned to eliminate duplicates Z: 12 19.807 1.855 1.212 0.814 0.818 0.636 CB 1.354 10 residues pruned to eliminate duplicates Z: 13 11.095 1.777 0.284 0.815 0.917 0.833 CB 1.164 13 residues pruned to eliminate duplicates Z: 14 27.545 2.159 0.723 0.881 1.000 0.615 CB 1.487 14 residues pruned to eliminate duplicates Z: 58 55.776 2.195 0.957 0.624 0.982 0.719 CB 1.558 58 residues pruned to eliminate duplicates Z: 33 19.525 1.801 0.736 0.469 0.906 0.656 CB 1.257 33 residues pruned to eliminate duplicates Z: 13 7.461 1.835 0.866 0.368 0.750 0.417 CB 0.967 13 residues pruned to eliminate duplicates Z: 28 45.915 2.138 1.431 0.719 0.889 0.741 CB 1.569 27 residues pruned to eliminate duplicates Z: 15 19.136 2.020 0.582 0.782 0.929 0.643 CB 1.345 15 residues pruned to eliminate duplicates Z: 23 24.095 1.989 1.127 0.602 0.909 0.500 CB 1.212 23 residues pruned to eliminate duplicates Z: 7 6.195 1.823 0.712 0.304 0.833 0.333 CA 1.210 Z: 68 67.851 2.253 1.097 0.593 0.970 0.687 CB 1.655 68 residues pruned to eliminate duplicates Z: 15 18.752 2.024 0.478 0.795 0.929 0.500 CA 1.393 15 residues pruned to eliminate duplicates Z: 8 5.937 1.545 0.401 0.315 1.000 0.714 CB 1.272 Z: 57 54.043 2.200 0.947 0.591 0.946 0.679 CB 1.633 67 residues pruned to eliminate duplicates Z: 16 29.905 2.004 0.923 0.902 1.000 0.933 CB 1.429 16 residues pruned to eliminate duplicates Z: 10 18.007 2.012 0.826 0.767 1.000 0.556 CB 1.290 10 residues pruned to eliminate duplicates Z: 20 28.210 1.954 1.384 0.526 0.895 0.684 CB 1.513 20 residues pruned to eliminate duplicates Z: 12 8.702 1.774 0.482 0.778 0.818 0.455 CB 0.954 12 residues pruned to eliminate duplicates Z: 10 19.786 1.804 1.098 0.856 1.000 0.667 CA 1.286 10 residues pruned to eliminate duplicates Z: 6 11.144 1.754 0.775 0.816 1.000 0.400 CA 1.217 6 residues pruned to eliminate duplicates Z: 10 15.020 1.962 0.689 0.828 0.889 0.556 CB 1.280 10 residues pruned to eliminate duplicates Z: 14 17.651 2.098 0.234 0.799 0.923 0.769 CA 1.577 14 residues pruned to eliminate duplicates Z: 14 26.529 2.134 0.972 0.827 0.923 0.769 CB 1.428 14 residues pruned to eliminate duplicates Z: 15 29.821 2.068 1.116 0.941 1.000 0.786 CB 1.264 15 residues pruned to eliminate duplicates Z: 15 20.403 1.965 1.345 0.521 0.857 0.643 CB 1.353 15 residues pruned to eliminate duplicates Z: 14 27.105 2.092 0.844 0.933 1.000 0.846 CB 1.360 14 residues pruned to eliminate duplicates Z: 16 40.729 2.135 1.305 0.953 1.000 0.933 CB 1.471 16 residues pruned to eliminate duplicates Z: 7 6.224 1.710 -0.156 0.833 1.000 0.833 CB 1.320 Z: 8 7.716 1.646 0.411 0.665 0.857 0.857 CA 1.258 8 residues pruned to eliminate duplicates Z: 17 26.681 1.941 0.914 0.889 0.938 0.750 CA 1.378 17 residues pruned to eliminate duplicates Z: 33 25.430 1.960 0.710 0.609 0.844 0.594 CB 1.433 33 residues pruned to eliminate duplicates Z: 64 58.282 2.170 0.927 0.599 0.968 0.746 CB 1.651 63 residues pruned to eliminate duplicates Z: 66 57.353 2.179 1.029 0.596 0.954 0.769 CB 1.540 66 residues pruned to eliminate duplicates Z: 62 70.582 2.314 1.127 0.642 0.984 0.836 CB 1.634 62 residues pruned to eliminate duplicates Z: 8 6.372 1.733 0.758 0.601 0.857 0.571 N 0.838 Z: 6 9.406 1.531 0.868 0.836 1.000 1.000 N 1.101 6 residues pruned to eliminate duplicates Z: 34 21.641 1.945 0.836 0.443 0.879 0.515 CB 1.273 28 residues pruned to eliminate duplicates Z: 11 17.881 1.933 1.025 0.826 1.000 0.700 CB 1.090 11 residues pruned to eliminate duplicates Z: 62 53.606 2.183 0.870 0.614 0.918 0.754 CB 1.645 62 residues pruned to eliminate duplicates Z: 6 6.518 1.807 0.402 0.823 0.800 0.800 CA 1.087 6 residues pruned to eliminate duplicates Z: 6 6.431 1.688 0.578 0.633 1.000 1.000 CB 0.953 Z: 7 11.308 1.829 0.947 0.822 1.000 0.833 N 0.980 Z: 50 50.770 2.192 1.018 0.644 0.918 0.755 CB 1.560 60 residues pruned to eliminate duplicates Z: 11 14.299 1.793 0.724 0.808 0.900 0.600 CB 1.243 11 residues pruned to eliminate duplicates Z: 15 25.321 1.939 0.882 0.883 1.000 0.929 CB 1.341 15 residues pruned to eliminate duplicates Z: 15 33.773 2.083 1.266 0.954 1.000 0.929 CB 1.316 15 residues pruned to eliminate duplicates Z: 13 22.513 2.069 0.614 0.869 1.000 0.583 CB 1.421 13 residues pruned to eliminate duplicates Z: 12 9.822 1.850 0.795 0.398 0.818 0.545 CB 1.214 12 residues pruned to eliminate duplicates Z: 8 6.691 1.837 0.730 0.390 0.714 0.571 C 1.252 8 residues pruned to eliminate duplicates Z: 14 33.241 2.084 1.019 0.897 1.000 0.615 CB 1.568 14 residues pruned to eliminate duplicates Z: 13 19.048 2.076 1.215 0.551 0.833 0.500 CB 1.366 11 residues pruned to eliminate duplicates Z: 6 2.861 1.787 0.953 0.420 0.400 0.200 CA 0.996 6 residues pruned to eliminate duplicates Z: 17 21.299 2.062 0.953 0.628 0.875 0.562 CB 1.339 17 residues pruned to eliminate duplicates Z: 12 18.340 1.773 0.976 0.843 0.909 0.636 CB 1.293 12 residues pruned to eliminate duplicates Z: 20 28.065 1.992 1.082 0.607 0.895 0.737 CA 1.567 20 residues pruned to eliminate duplicates Z: 44 47.008 2.126 0.999 0.664 0.930 0.721 CB 1.558 44 residues pruned to eliminate duplicates Z: 16 22.828 2.202 0.520 0.774 0.867 0.533 CB 1.595 16 residues pruned to eliminate duplicates Z: 15 24.549 2.030 0.742 0.922 1.000 0.786 CB 1.304 15 residues pruned to eliminate duplicates Z: 18 17.426 1.960 0.481 0.675 0.824 0.588 CA 1.505 18 residues pruned to eliminate duplicates Z: 16 23.262 2.001 0.610 0.919 1.000 1.000 CB 1.314 16 residues pruned to eliminate duplicates Z: 27 23.514 2.062 0.971 0.470 0.808 0.577 CB 1.448 27 residues pruned to eliminate duplicates Z: 60 55.161 2.220 0.852 0.609 0.949 0.763 CB 1.659 60 residues pruned to eliminate duplicates Z: 14 22.763 2.039 0.481 0.834 1.000 0.692 CB 1.567 14 residues pruned to eliminate duplicates Z: 12 12.212 1.862 0.640 0.691 0.818 0.273 CA 1.237 12 residues pruned to eliminate duplicates Z: 45 31.875 2.096 0.794 0.596 0.841 0.523 CB 1.387 45 residues pruned to eliminate duplicates Z: 64 64.298 2.286 1.036 0.606 0.952 0.698 CB 1.653 64 residues pruned to eliminate duplicates Z: 6 7.364 1.787 0.800 0.593 0.800 0.600 N 1.170 6 residues pruned to eliminate duplicates Z: 59 62.227 2.219 1.136 0.649 0.948 0.707 CB 1.582 59 residues pruned to eliminate duplicates Z: 62 65.023 2.210 1.057 0.661 0.984 0.820 CB 1.604 62 residues pruned to eliminate duplicates Z: 7 3.284 1.559 0.057 0.519 0.833 0.667 N 0.958 Z: 13 28.364 2.072 1.137 0.898 0.917 0.833 CB 1.443 13 residues pruned to eliminate duplicates Z: 60 56.006 2.164 0.972 0.618 0.966 0.780 CB 1.582 60 residues pruned to eliminate duplicates Z: 15 23.376 1.904 0.888 0.871 0.929 0.857 CA 1.366 15 residues pruned to eliminate duplicates Z: 18 26.059 2.072 1.042 0.693 0.882 0.647 CB 1.420 18 residues pruned to eliminate duplicates Z: 16 20.464 2.017 0.509 0.807 0.933 0.667 CB 1.423 16 residues pruned to eliminate duplicates Z: 62 58.199 2.224 0.932 0.599 0.967 0.672 CB 1.632 62 residues pruned to eliminate duplicates Z: 64 67.973 2.304 1.130 0.596 0.968 0.603 CB 1.644 64 residues pruned to eliminate duplicates Z: 22 20.781 1.919 0.725 0.567 0.905 0.429 CB 1.418 22 residues pruned to eliminate duplicates Z: 17 21.482 1.942 1.098 0.540 0.875 0.750 CB 1.448 53 residues pruned to eliminate duplicates Z: 65 60.483 2.203 1.033 0.599 0.969 0.641 CB 1.585 65 residues pruned to eliminate duplicates Z: 19 28.054 2.110 0.770 0.564 1.000 0.778 CB 1.664 19 residues pruned to eliminate duplicates Z: 18 6.857 1.634 0.401 0.290 0.706 0.353 CB 1.302 Z: 17 33.849 2.196 1.048 0.549 1.000 0.688 CB 1.793 17 residues pruned to eliminate duplicates Z: 61 61.841 2.172 0.935 0.649 0.983 0.817 CB 1.682 61 residues pruned to eliminate duplicates Z: 22 35.260 2.021 1.074 0.876 0.905 0.714 CB 1.475 22 residues pruned to eliminate duplicates Z: 10 20.201 2.065 1.174 0.792 0.889 0.444 CB 1.306 10 residues pruned to eliminate duplicates Z: 20 30.855 2.041 0.880 0.797 0.947 0.789 CB 1.501 21 residues pruned to eliminate duplicates Z: 15 14.836 2.006 0.359 0.750 0.929 0.643 CB 1.253 15 residues pruned to eliminate duplicates Z: 6 6.557 1.482 0.488 0.813 1.000 0.800 CA 1.013 Z: 26 29.987 1.981 1.139 0.576 0.920 0.560 CB 1.430 26 residues pruned to eliminate duplicates Z: 9 12.672 1.879 0.668 0.650 0.875 0.625 C 1.421 9 residues pruned to eliminate duplicates Z: 16 31.181 2.234 1.262 0.557 0.867 0.733 CB 1.740 16 residues pruned to eliminate duplicates Z: 8 4.273 1.684 -0.424 0.783 1.000 0.857 CB 1.299 6 residues pruned to eliminate duplicates Z: 58 63.806 2.304 0.988 0.627 0.982 0.789 CB 1.666 58 residues pruned to eliminate duplicates Z: 7 9.182 1.901 0.272 0.833 1.000 0.833 CA 1.163 7 residues pruned to eliminate duplicates Z: 64 62.332 2.214 1.066 0.604 0.968 0.698 CB 1.606 64 residues pruned to eliminate duplicates Z: 57 64.104 2.250 1.056 0.659 0.964 0.821 CB 1.656 57 residues pruned to eliminate duplicates Z: 7 5.593 1.605 -0.143 0.791 1.000 0.833 CB 1.286 Z: 6 3.916 1.902 1.035 0.666 0.800 0.800 CB 0.485 Z: 17 19.048 1.902 0.606 0.723 0.938 0.625 CA 1.360 17 residues pruned to eliminate duplicates Z: 10 14.492 1.950 0.592 0.825 1.000 0.556 CB 1.174 10 residues pruned to eliminate duplicates Z: 62 62.745 2.256 1.085 0.621 0.951 0.738 CB 1.602 62 residues pruned to eliminate duplicates Z: 7 3.168 1.410 0.430 0.546 0.833 0.667 C 0.736 7 residues pruned to eliminate duplicates Z: 6 4.249 1.599 1.275 0.376 0.600 0.600 N 0.994 Z: 6 6.359 1.524 0.701 0.766 0.800 0.600 N 1.083 6 residues pruned to eliminate duplicates Z: 8 4.740 1.624 0.245 0.501 0.857 0.429 C 1.032 8 residues pruned to eliminate duplicates Z: 68 64.204 2.255 1.032 0.611 0.955 0.701 CB 1.613 68 residues pruned to eliminate duplicates Z: 12 29.458 2.135 1.248 0.898 1.000 0.636 CB 1.324 12 residues pruned to eliminate duplicates Z: 14 13.826 1.890 0.219 0.835 0.923 0.692 CB 1.350 14 residues pruned to eliminate duplicates Z: 7 9.517 1.547 1.210 0.808 1.000 0.833 N 0.869 7 residues pruned to eliminate duplicates Z: 10 5.112 1.749 0.275 0.469 0.889 0.889 CB 0.887 10 residues pruned to eliminate duplicates Z: 15 11.963 1.916 0.724 0.465 0.857 0.571 CB 1.171 15 residues pruned to eliminate duplicates Z: 35 43.913 2.099 1.261 0.690 0.912 0.618 CB 1.463 18 residues pruned to eliminate duplicates Z: 12 22.698 2.216 0.544 0.858 0.909 0.727 CA 1.619 12 residues pruned to eliminate duplicates Z: 8 10.100 1.909 0.589 0.822 1.000 0.714 N 0.952 7 residues pruned to eliminate duplicates Z: 65 62.679 2.290 0.952 0.599 0.969 0.750 CB 1.646 79 residues pruned to eliminate duplicates Z: 9 18.309 1.921 0.921 0.811 1.000 0.875 CB 1.338 9 residues pruned to eliminate duplicates Z: 51 53.830 2.172 1.162 0.640 0.940 0.700 CB 1.513 51 residues pruned to eliminate duplicates Z: 15 28.928 2.020 1.265 0.933 1.000 0.714 CB 1.179 15 residues pruned to eliminate duplicates Z: 7 11.745 1.857 0.810 0.468 1.000 0.667 CA 1.473 7 residues pruned to eliminate duplicates Z: 16 9.166 1.892 0.845 0.355 0.733 0.533 CB 1.082 16 residues pruned to eliminate duplicates Z: 57 62.856 2.275 1.056 0.640 0.964 0.679 CB 1.634 57 residues pruned to eliminate duplicates Z: 7 2.936 1.435 -0.168 0.373 1.000 0.333 CA 1.150 Z: 43 50.061 2.134 1.063 0.673 0.952 0.762 CB 1.570 43 residues pruned to eliminate duplicates Z: 14 24.045 2.055 1.224 0.659 0.923 0.692 CB 1.363 14 residues pruned to eliminate duplicates Z: 10 6.517 1.754 0.574 0.529 0.778 0.444 CB 0.983 20 residues pruned to eliminate duplicates Z: 25 29.175 2.176 0.899 0.456 0.917 0.750 CB 1.645 32 residues pruned to eliminate duplicates Z: 49 45.906 2.111 0.884 0.636 0.958 0.771 CB 1.530 49 residues pruned to eliminate duplicates Z: 15 21.580 1.954 0.608 0.915 1.000 0.929 CB 1.297 15 residues pruned to eliminate duplicates Z: 19 28.519 2.181 1.135 0.526 0.889 0.778 CB 1.583 19 residues pruned to eliminate duplicates Z: 62 52.221 2.176 0.968 0.611 0.951 0.705 CB 1.478 62 residues pruned to eliminate duplicates Z: 12 18.007 1.824 0.764 0.757 1.000 0.636 CB 1.342 12 residues pruned to eliminate duplicates Z: 14 35.114 2.065 1.196 0.908 1.000 0.769 CB 1.525 14 residues pruned to eliminate duplicates Z: 7 3.184 1.617 -0.016 0.694 1.000 0.667 CB 0.684 7 residues pruned to eliminate duplicates Z: 33 43.266 2.192 1.092 0.684 0.969 0.812 CB 1.454 33 residues pruned to eliminate duplicates Z: 15 28.283 1.967 0.978 0.880 1.000 0.929 CB 1.408 15 residues pruned to eliminate duplicates Z: 14 26.730 2.045 1.303 0.727 0.846 0.769 CB 1.517 15 residues pruned to eliminate duplicates Z: 10 6.414 1.680 0.650 0.432 0.778 0.556 CB 1.064 Z: 7 3.527 1.421 0.363 0.306 0.833 0.500 O 1.108 Z: 18 22.663 2.176 0.761 0.566 0.882 0.706 CB 1.525 27 residues pruned to eliminate duplicates Z: 46 55.521 2.284 1.085 0.624 0.933 0.600 CB 1.656 46 residues pruned to eliminate duplicates 7 1.712 1.634 -0.211 0.278 0.667 0.167 N 1.044 ? Z: 16 32.527 2.037 1.035 0.948 1.000 0.733 CB 1.399 16 residues pruned to eliminate duplicates Z: 14 9.393 1.886 0.370 0.795 0.615 0.462 CB 1.264 14 residues pruned to eliminate duplicates Z: 9 12.420 1.802 0.531 0.914 1.000 1.000 CA 1.126 9 residues pruned to eliminate duplicates Z: 63 59.713 2.213 0.984 0.609 0.984 0.726 CB 1.583 63 residues pruned to eliminate duplicates Z: 8 5.173 1.722 -0.324 0.738 1.000 0.571 N 1.357 Z: 6 4.917 1.272 0.390 0.697 1.000 0.400 C 1.039 Z: 6 6.646 1.717 0.526 0.487 1.000 0.600 CA 1.149 6 residues pruned to eliminate duplicates Z: 15 31.839 2.016 1.086 0.888 1.000 0.929 CB 1.458 15 residues pruned to eliminate duplicates Z: 25 19.447 2.067 1.094 0.308 0.792 0.417 CB 1.434 25 residues pruned to eliminate duplicates Z: 26 30.668 2.051 0.916 0.525 0.960 0.680 CB 1.588 27 residues pruned to eliminate duplicates Z: 7 8.848 1.822 0.780 0.679 1.000 0.333 CB 0.945 6 1.624 1.358 -0.202 0.440 0.800 0.800 CA 0.892 ? Z: 7 2.497 1.407 0.147 0.483 1.000 0.500 CB 0.643 7 residues pruned to eliminate duplicates Z: 7 3.161 1.707 -0.427 0.626 1.000 0.833 N 1.170 Z: 61 65.348 2.288 1.003 0.623 0.983 0.833 CB 1.667 61 residues pruned to eliminate duplicates Z: 19 22.402 1.985 1.039 0.491 0.889 0.611 CB 1.481 19 residues pruned to eliminate duplicates Z: 43 42.850 2.121 1.121 0.551 0.976 0.667 CB 1.433 43 residues pruned to eliminate duplicates Z: 11 11.786 1.887 0.616 0.357 1.000 0.600 CB 1.427 Z: 19 19.391 1.828 1.012 0.569 0.833 0.667 CA 1.396 19 residues pruned to eliminate duplicates Z: 61 61.006 2.268 0.936 0.623 0.967 0.817 CB 1.652 61 residues pruned to eliminate duplicates Z: 62 60.365 2.220 0.913 0.630 0.984 0.754 CB 1.636 62 residues pruned to eliminate duplicates Z: 12 27.486 2.163 1.266 0.629 0.909 0.818 CB 1.647 12 residues pruned to eliminate duplicates Z: 11 12.973 1.827 0.477 0.879 1.000 0.700 CB 1.103 11 residues pruned to eliminate duplicates Z: 33 28.742 2.105 0.763 0.495 0.875 0.531 CB 1.572 33 residues pruned to eliminate duplicates Z: 14 32.945 2.044 1.277 0.902 0.923 0.769 CB 1.516 14 residues pruned to eliminate duplicates Z: 7 5.177 1.822 0.369 0.296 0.833 0.500 CB 1.278 7 residues pruned to eliminate duplicates Z: 24 26.549 1.919 1.017 0.802 0.913 0.565 CB 1.203 26 residues pruned to eliminate duplicates Z: 6 5.358 1.944 0.034 0.624 0.800 0.600 CA 1.325 6 residues pruned to eliminate duplicates Z: 8 8.459 1.595 1.199 0.741 0.857 0.857 CB 0.857 Z: 9 4.469 1.628 0.063 0.530 0.875 0.500 CB 1.013 Z: 61 59.456 2.228 1.003 0.621 0.950 0.783 CB 1.614 68 residues pruned to eliminate duplicates Z: 14 29.066 2.079 1.073 0.946 1.000 0.538 CB 1.293 14 residues pruned to eliminate duplicates Z: 51 48.813 2.102 1.008 0.622 0.960 0.720 CB 1.518 51 residues pruned to eliminate duplicates Z: 21 32.986 2.249 0.939 0.576 1.000 0.600 CA 1.573 21 residues pruned to eliminate duplicates Z: 8 7.124 1.715 0.777 0.603 0.857 0.714 CB 0.935 Z: 9 5.767 1.704 0.619 0.429 0.875 0.625 CB 0.910 7 residues pruned to eliminate duplicates Z: 57 58.367 2.186 1.005 0.651 0.964 0.732 CB 1.603 57 residues pruned to eliminate duplicates Z: 10 5.659 1.690 -0.015 0.470 0.889 0.667 CB 1.313 Z: 6 2.364 1.754 0.029 0.297 0.600 0.600 CB 1.225 6 residues pruned to eliminate duplicates Z: 23 25.161 2.135 0.779 0.614 0.864 0.636 CB 1.468 23 residues pruned to eliminate duplicates Z: 13 32.208 2.105 1.311 0.747 1.000 0.667 CA 1.533 13 residues pruned to eliminate duplicates Z: 9 4.652 1.530 0.020 0.575 1.000 0.375 CB 0.981 8 residues pruned to eliminate duplicates Z: 15 11.397 1.821 0.161 0.809 0.929 0.643 CB 1.185 15 residues pruned to eliminate duplicates Z: 6 4.318 1.541 0.449 0.592 1.000 0.600 CB 0.792 Z: 22 22.235 1.858 1.302 0.495 0.810 0.619 C 1.408 22 residues pruned to eliminate duplicates Z: 25 13.163 1.901 0.647 0.467 0.667 0.292 CB 1.330 25 residues pruned to eliminate duplicates Z: 9 3.291 1.366 0.395 0.222 0.750 0.500 C 1.128 9 residues pruned to eliminate duplicates Z: 60 71.899 2.307 1.060 0.639 1.000 0.814 CB 1.729 60 residues pruned to eliminate duplicates Z: 7 8.937 1.772 0.529 0.615 0.833 0.667 CB 1.450 6 residues pruned to eliminate duplicates Z: 48 46.673 2.153 0.706 0.657 1.000 0.723 CB 1.601 48 residues pruned to eliminate duplicates Z: 14 31.401 2.121 1.054 0.892 1.000 0.692 CB 1.437 14 residues pruned to eliminate duplicates Z: 26 43.248 2.220 1.249 0.630 0.920 0.800 CB 1.667 26 residues pruned to eliminate duplicates 6 1.994 1.558 0.640 0.299 0.400 0.400 N 1.092 ? Z: 59 55.139 2.143 0.961 0.626 0.966 0.828 CB 1.585 59 residues pruned to eliminate duplicates Z: 8 7.033 1.742 -0.038 0.771 1.000 0.857 CB 1.248 9 residues pruned to eliminate duplicates Z: 7 3.438 1.306 0.673 0.558 0.833 0.333 CB 0.729 Z: 62 57.149 2.246 1.000 0.587 0.934 0.721 CB 1.604 62 residues pruned to eliminate duplicates 472 residues left after pruning, divided into chains as follows: A: 8 B: 127 C: 82 D: 6 E: 6 F: 39 G: 127 H: 11 I: 33 J: 33 CC for partial structure against native data = 38.42 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.431, Connect. = 0.721 for dens.mod. cycle 1 = 0.300, Contrast = 0.506, Connect. = 0.752 for dens.mod. cycle 2 = 0.300, Contrast = 0.601, Connect. = 0.784 for dens.mod. cycle 3 = 0.300, Contrast = 0.611, Connect. = 0.788 for dens.mod. cycle 4 = 0.300, Contrast = 0.623, Connect. = 0.791 for dens.mod. cycle 5 = 0.300, Contrast = 0.626, Connect. = 0.793 for dens.mod. cycle 6 = 0.300, Contrast = 0.631, Connect. = 0.795 for dens.mod. cycle 7 = 0.300, Contrast = 0.632, Connect. = 0.796 for dens.mod. cycle 8 = 0.300, Contrast = 0.634, Connect. = 0.797 for dens.mod. cycle 9 = 0.300, Contrast = 0.634, Connect. = 0.798 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4135 peaks > 0.5 sigma used to seed fragment search Space for about 746 unique residues taking solvent into account 857 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 68 62.494 2.257 0.991 0.579 0.955 0.701 CB 1.649 B: 66 59.255 2.264 0.846 0.586 0.954 0.754 CB 1.696 C: 67 58.946 2.246 0.915 0.603 0.939 0.697 CB 1.628 67 residues pruned to eliminate duplicates D: 21 33.829 2.250 1.224 0.512 0.900 0.600 CB 1.660 E: 17 30.027 2.190 0.759 0.780 1.000 0.625 CA 1.522 F: 7 8.088 1.975 0.349 0.763 0.667 0.667 CA 1.472 7 residues pruned to eliminate duplicates G: 66 60.102 2.284 0.860 0.589 0.969 0.662 CB 1.663 66 residues pruned to eliminate duplicates H: 22 36.021 2.199 1.171 0.542 0.952 0.619 CB 1.659 21 residues pruned to eliminate duplicates I: 55 64.218 2.250 1.074 0.661 0.981 0.796 CB 1.643 J: 61 62.205 2.283 0.935 0.601 0.950 0.700 CB 1.738 62 residues pruned to eliminate duplicates K: 21 28.164 2.073 1.105 0.506 0.900 0.650 CB 1.593 21 residues pruned to eliminate duplicates L: 126 94.789 2.318 0.979 0.630 0.952 0.712 CB 1.719 82 residues pruned to eliminate duplicates M: 65 63.012 2.283 0.881 0.596 0.969 0.688 CB 1.727 65 residues pruned to eliminate duplicates N: 81 55.826 2.188 0.839 0.600 0.913 0.613 CB 1.545 69 residues pruned to eliminate duplicates O: 39 43.605 2.177 0.930 0.633 0.947 0.816 CA 1.568 P: 62 58.374 2.261 0.882 0.594 0.951 0.705 CB 1.688 62 residues pruned to eliminate duplicates Q: 66 60.022 2.266 0.872 0.597 0.969 0.769 CB 1.652 66 residues pruned to eliminate duplicates R: 17 21.498 1.993 0.336 0.918 1.000 0.875 CA 1.423 17 residues pruned to eliminate duplicates S: 17 30.919 2.325 0.732 0.553 1.000 0.812 CB 1.823 17 residues pruned to eliminate duplicates T: 15 27.108 2.023 0.898 0.873 0.857 0.857 CB 1.604 U: 15 29.847 2.041 0.888 0.885 1.000 0.857 CB 1.495 V: 128 91.771 2.322 0.957 0.588 0.953 0.638 CB 1.729 126 residues pruned to eliminate duplicates W: 59 59.904 2.294 0.843 0.634 0.983 0.741 CB 1.669 59 residues pruned to eliminate duplicates X: 12 28.573 2.030 1.444 0.701 1.000 0.818 CA 1.446 Y: 14 30.938 2.177 1.253 0.876 0.923 0.846 CB 1.378 4 residues pruned to eliminate duplicates Z: 61 64.027 2.281 0.927 0.615 0.967 0.733 CB 1.745 61 residues pruned to eliminate duplicates Z: 71 59.432 2.239 0.894 0.562 0.957 0.714 CB 1.649 66 residues pruned to eliminate duplicates Z: 122 82.388 2.239 0.921 0.632 0.959 0.678 CB 1.605 115 residues pruned to eliminate duplicates Z: 16 26.705 2.304 0.619 0.790 0.867 0.467 CA 1.653 16 residues pruned to eliminate duplicates Z: 67 60.678 2.263 0.896 0.586 0.939 0.697 CB 1.707 67 residues pruned to eliminate duplicates Z: 15 31.714 2.193 0.652 0.922 1.000 0.929 CA 1.645 15 residues pruned to eliminate duplicates Z: 64 62.061 2.255 0.996 0.608 0.968 0.730 CB 1.619 64 residues pruned to eliminate duplicates Z: 51 49.021 2.197 0.817 0.619 0.980 0.680 CB 1.585 51 residues pruned to eliminate duplicates Z: 9 25.143 2.010 1.131 0.863 1.000 0.875 CB 1.522 Z: 17 24.380 2.181 0.978 0.610 0.812 0.500 CB 1.567 Z: 38 39.726 2.182 0.894 0.614 0.865 0.514 CB 1.640 53 residues pruned to eliminate duplicates Z: 71 65.697 2.334 0.973 0.568 0.943 0.643 CB 1.693 71 residues pruned to eliminate duplicates Z: 71 56.437 2.238 0.832 0.581 0.957 0.757 CB 1.590 39 residues pruned to eliminate duplicates Z: 11 42.970 2.256 1.618 0.878 1.000 0.900 CB 1.669 Z: 57 59.872 2.331 1.055 0.560 0.946 0.643 CA 1.665 57 residues pruned to eliminate duplicates Z: 120 82.930 2.231 0.983 0.604 0.950 0.723 CB 1.639 63 residues pruned to eliminate duplicates Z: 67 65.230 2.280 0.975 0.599 0.985 0.727 CB 1.648 69 residues pruned to eliminate duplicates Z: 66 61.313 2.300 0.857 0.588 0.938 0.708 CB 1.743 66 residues pruned to eliminate duplicates Z: 16 24.860 2.119 0.449 0.925 1.000 0.933 CA 1.467 16 residues pruned to eliminate duplicates Z: 67 59.649 2.272 0.860 0.586 0.955 0.682 CB 1.676 67 residues pruned to eliminate duplicates Z: 23 28.098 2.228 0.928 0.485 0.909 0.773 CB 1.557 23 residues pruned to eliminate duplicates Z: 15 18.573 2.099 0.110 0.922 1.000 0.857 CA 1.499 15 residues pruned to eliminate duplicates Z: 14 34.857 2.168 0.869 0.897 1.000 0.846 CA 1.708 Z: 15 30.748 2.069 1.010 0.876 0.929 0.786 CA 1.547 14 residues pruned to eliminate duplicates Z: 67 66.882 2.314 0.985 0.586 0.955 0.682 CA 1.729 67 residues pruned to eliminate duplicates Z: 15 34.537 2.055 0.947 0.930 1.000 1.000 CA 1.612 14 residues pruned to eliminate duplicates Z: 29 32.615 2.114 1.109 0.569 0.857 0.750 CB 1.509 29 residues pruned to eliminate duplicates Z: 26 37.549 2.097 1.124 0.649 0.920 0.600 CB 1.595 12 residues pruned to eliminate duplicates Z: 65 66.683 2.274 0.995 0.612 0.984 0.688 CB 1.679 70 residues pruned to eliminate duplicates Z: 11 32.846 2.263 1.537 0.712 0.900 0.800 CB 1.659 17 residues pruned to eliminate duplicates Z: 25 47.303 2.163 1.414 0.777 0.958 0.708 CB 1.511 15 residues pruned to eliminate duplicates Z: 16 28.860 2.264 0.785 0.771 0.867 0.600 CA 1.673 16 residues pruned to eliminate duplicates Z: 123 86.573 2.250 0.993 0.620 0.959 0.689 CB 1.627 112 residues pruned to eliminate duplicates Z: 64 62.073 2.275 0.905 0.597 0.968 0.698 CB 1.698 64 residues pruned to eliminate duplicates Z: 60 56.719 2.302 0.725 0.623 0.983 0.695 CB 1.685 60 residues pruned to eliminate duplicates Z: 11 28.400 1.963 1.743 0.679 0.900 0.700 C 1.572 11 residues pruned to eliminate duplicates Z: 21 24.149 1.961 1.061 0.528 0.850 0.700 CA 1.528 21 residues pruned to eliminate duplicates Z: 63 57.745 2.234 0.784 0.598 0.984 0.742 CB 1.704 63 residues pruned to eliminate duplicates Z: 46 43.244 2.146 1.315 0.580 0.844 0.556 CB 1.423 46 residues pruned to eliminate duplicates Z: 16 26.168 2.186 0.526 0.816 0.933 0.667 CA 1.648 16 residues pruned to eliminate duplicates Z: 58 48.626 2.143 0.754 0.651 0.965 0.684 CB 1.544 58 residues pruned to eliminate duplicates Z: 16 23.313 2.054 0.459 0.903 1.000 0.733 CA 1.431 16 residues pruned to eliminate duplicates Z: 62 61.572 2.244 0.932 0.617 0.984 0.754 CB 1.656 62 residues pruned to eliminate duplicates Z: 13 21.240 2.023 0.531 0.814 1.000 0.667 CB 1.506 13 residues pruned to eliminate duplicates Z: 13 28.548 2.262 0.846 0.878 0.917 0.917 CB 1.562 Z: 15 28.212 2.161 0.509 0.935 1.000 0.929 CB 1.611 15 residues pruned to eliminate duplicates Z: 15 29.279 2.091 0.907 0.859 1.000 0.857 CB 1.445 15 residues pruned to eliminate duplicates Z: 61 68.734 2.395 0.916 0.606 0.983 0.767 CB 1.779 61 residues pruned to eliminate duplicates Z: 15 29.508 2.374 0.654 0.761 0.929 0.571 CA 1.716 15 residues pruned to eliminate duplicates Z: 13 22.653 2.172 1.117 0.604 0.833 0.833 CB 1.546 13 residues pruned to eliminate duplicates Z: 70 64.187 2.246 0.904 0.603 0.971 0.696 CB 1.688 70 residues pruned to eliminate duplicates Z: 17 16.267 2.108 0.137 0.793 0.875 0.688 CA 1.500 17 residues pruned to eliminate duplicates Z: 13 25.653 2.189 0.612 0.843 1.000 0.833 CA 1.562 14 residues pruned to eliminate duplicates Z: 15 33.194 2.155 0.820 0.929 1.000 0.929 CA 1.583 15 residues pruned to eliminate duplicates Z: 36 32.942 2.176 0.879 0.600 0.771 0.571 CB 1.604 24 residues pruned to eliminate duplicates Z: 14 20.251 2.056 0.635 0.846 0.923 0.769 CB 1.344 14 residues pruned to eliminate duplicates Z: 12 18.908 2.183 0.625 0.807 0.727 0.727 CB 1.691 12 residues pruned to eliminate duplicates Z: 16 28.569 2.316 0.641 0.824 0.867 0.733 CA 1.691 16 residues pruned to eliminate duplicates Z: 10 30.377 2.042 1.743 0.753 0.889 0.889 C 1.623 10 residues pruned to eliminate duplicates Z: 15 24.529 1.947 0.759 0.884 1.000 0.857 CB 1.382 15 residues pruned to eliminate duplicates Z: 15 33.991 2.060 1.017 0.876 1.000 0.571 CB 1.589 15 residues pruned to eliminate duplicates Z: 44 46.214 2.153 1.268 0.622 0.860 0.628 CB 1.495 42 residues pruned to eliminate duplicates Z: 17 27.074 2.189 0.671 0.792 0.875 0.625 CA 1.637 17 residues pruned to eliminate duplicates Z: 7 30.336 2.308 1.270 0.887 1.000 0.833 CB 1.705 7 residues pruned to eliminate duplicates Z: 65 62.194 2.244 1.048 0.598 0.953 0.719 CB 1.617 65 residues pruned to eliminate duplicates Z: 14 35.807 2.135 1.145 0.911 1.000 0.923 CA 1.537 16 residues pruned to eliminate duplicates Z: 13 28.028 2.186 0.973 0.875 0.917 0.917 CB 1.489 14 residues pruned to eliminate duplicates Z: 17 13.827 2.006 0.260 0.721 0.750 0.688 CA 1.494 17 residues pruned to eliminate duplicates Z: 44 41.290 2.102 0.886 0.619 0.953 0.721 CB 1.488 44 residues pruned to eliminate duplicates Z: 12 18.401 2.289 0.711 0.723 0.727 0.455 CB 1.592 12 residues pruned to eliminate duplicates Z: 30 39.494 2.101 1.168 0.601 0.931 0.759 CB 1.571 29 residues pruned to eliminate duplicates Z: 15 30.256 2.051 0.715 0.879 1.000 0.714 CA 1.667 15 residues pruned to eliminate duplicates Z: 65 58.928 2.245 0.954 0.607 0.969 0.750 CB 1.566 65 residues pruned to eliminate duplicates Z: 64 60.321 2.273 0.869 0.608 0.968 0.746 CB 1.668 64 residues pruned to eliminate duplicates Z: 16 26.281 2.106 0.516 0.943 1.000 0.933 CB 1.474 16 residues pruned to eliminate duplicates Z: 68 61.477 2.257 1.040 0.573 0.940 0.731 CB 1.617 68 residues pruned to eliminate duplicates Z: 18 24.021 2.141 0.557 0.683 0.941 0.647 CB 1.569 18 residues pruned to eliminate duplicates Z: 69 63.044 2.230 1.050 0.566 0.956 0.662 CB 1.641 69 residues pruned to eliminate duplicates Z: 16 19.677 2.185 0.505 0.738 0.800 0.667 CA 1.560 16 residues pruned to eliminate duplicates Z: 23 31.333 2.035 0.798 0.846 0.955 0.773 CB 1.421 25 residues pruned to eliminate duplicates Z: 65 70.329 2.343 1.054 0.587 0.969 0.656 CA 1.734 65 residues pruned to eliminate duplicates Z: 124 83.733 2.257 0.921 0.607 0.967 0.740 CB 1.626 124 residues pruned to eliminate duplicates Z: 16 27.047 2.001 1.045 0.857 1.000 0.800 CB 1.258 16 residues pruned to eliminate duplicates Z: 68 62.469 2.310 0.922 0.566 0.955 0.657 CB 1.688 68 residues pruned to eliminate duplicates Z: 63 59.802 2.226 0.923 0.613 0.952 0.790 CB 1.675 64 residues pruned to eliminate duplicates Z: 66 56.382 2.242 0.793 0.594 0.938 0.692 CB 1.695 67 residues pruned to eliminate duplicates Z: 13 22.969 2.089 1.072 0.707 0.917 0.667 CB 1.384 13 residues pruned to eliminate duplicates Z: 14 27.903 2.353 0.487 0.783 0.923 0.769 CB 1.868 14 residues pruned to eliminate duplicates Z: 16 30.436 1.975 1.015 0.876 1.000 0.800 CB 1.435 16 residues pruned to eliminate duplicates Z: 33 45.197 2.290 1.136 0.605 0.938 0.625 CB 1.576 33 residues pruned to eliminate duplicates Z: 66 63.237 2.278 0.820 0.588 0.985 0.646 CB 1.765 66 residues pruned to eliminate duplicates Z: 14 19.351 2.135 0.152 0.805 1.000 0.692 CA 1.673 14 residues pruned to eliminate duplicates Z: 60 61.755 2.235 1.007 0.615 0.983 0.695 CB 1.635 60 residues pruned to eliminate duplicates Z: 123 91.700 2.347 0.910 0.600 0.943 0.713 CB 1.786 66 residues pruned to eliminate duplicates Z: 67 67.530 2.337 1.021 0.568 0.970 0.667 CA 1.700 67 residues pruned to eliminate duplicates Z: 66 60.889 2.290 0.808 0.582 0.969 0.708 CB 1.740 70 residues pruned to eliminate duplicates Z: 14 27.949 2.120 0.988 0.852 0.923 0.846 CB 1.474 14 residues pruned to eliminate duplicates Z: 13 14.856 1.890 0.492 0.846 0.833 0.667 CA 1.356 13 residues pruned to eliminate duplicates Z: 9 27.039 2.129 1.169 0.881 1.000 0.750 CA 1.499 9 residues pruned to eliminate duplicates Z: 39 41.886 2.160 1.186 0.566 0.868 0.684 CB 1.554 40 residues pruned to eliminate duplicates Z: 66 63.740 2.296 0.894 0.602 0.938 0.723 CB 1.758 66 residues pruned to eliminate duplicates Z: 14 29.443 2.109 1.006 0.829 1.000 0.846 CA 1.452 14 residues pruned to eliminate duplicates Z: 39 43.154 2.147 1.142 0.641 0.868 0.447 CB 1.536 38 residues pruned to eliminate duplicates Z: 15 27.049 2.160 0.462 0.910 1.000 0.786 CB 1.623 15 residues pruned to eliminate duplicates Z: 59 45.482 2.104 0.663 0.598 0.966 0.672 CB 1.609 59 residues pruned to eliminate duplicates Z: 79 64.546 2.227 1.089 0.578 0.923 0.705 CB 1.578 79 residues pruned to eliminate duplicates Z: 58 63.849 2.281 0.992 0.655 0.965 0.754 CB 1.670 58 residues pruned to eliminate duplicates Z: 14 28.611 2.228 0.520 0.938 1.000 1.000 CB 1.630 14 residues pruned to eliminate duplicates Z: 64 76.686 2.390 1.093 0.600 0.984 0.746 CA 1.784 64 residues pruned to eliminate duplicates Z: 12 21.634 2.107 1.093 0.736 0.818 0.727 CA 1.463 12 residues pruned to eliminate duplicates Z: 15 23.698 2.041 1.260 0.630 0.857 0.714 CB 1.417 15 residues pruned to eliminate duplicates Z: 15 30.006 2.081 0.821 0.878 1.000 0.929 CB 1.535 15 residues pruned to eliminate duplicates Z: 12 25.413 2.165 1.390 0.645 0.909 0.909 CB 1.423 12 residues pruned to eliminate duplicates Z: 67 68.404 2.344 0.994 0.593 0.955 0.636 CB 1.727 67 residues pruned to eliminate duplicates Z: 57 63.039 2.280 0.986 0.660 0.982 0.732 CB 1.633 57 residues pruned to eliminate duplicates Z: 14 26.093 2.095 1.553 0.653 0.769 0.769 CB 1.526 14 residues pruned to eliminate duplicates Z: 15 19.873 2.069 1.413 0.635 0.786 0.571 CB 1.193 15 residues pruned to eliminate duplicates Z: 16 28.151 2.125 0.874 0.816 0.867 0.533 CA 1.601 16 residues pruned to eliminate duplicates Z: 15 24.402 2.325 0.609 0.802 0.786 0.643 CA 1.704 15 residues pruned to eliminate duplicates Z: 66 66.765 2.344 0.981 0.585 0.969 0.708 CB 1.695 66 residues pruned to eliminate duplicates Z: 16 17.762 1.985 0.450 0.823 0.800 0.733 CB 1.505 16 residues pruned to eliminate duplicates Z: 65 60.582 2.213 0.977 0.607 0.969 0.719 CB 1.613 65 residues pruned to eliminate duplicates Z: 15 31.495 2.086 1.040 0.858 1.000 0.857 CB 1.456 15 residues pruned to eliminate duplicates Z: 26 43.759 2.245 1.565 0.773 0.800 0.560 CB 1.492 26 residues pruned to eliminate duplicates Z: 12 25.717 2.166 0.851 0.917 0.909 0.909 CA 1.501 12 residues pruned to eliminate duplicates Z: 23 32.530 2.080 0.971 0.831 0.955 0.500 CB 1.332 23 residues pruned to eliminate duplicates Z: 15 33.147 2.250 0.827 0.923 1.000 0.714 CA 1.514 15 residues pruned to eliminate duplicates Z: 13 12.496 2.033 1.082 0.326 0.750 0.333 CB 1.375 13 residues pruned to eliminate duplicates Z: 12 19.963 1.867 1.273 0.776 0.909 0.727 CA 1.222 12 residues pruned to eliminate duplicates Z: 66 63.179 2.243 0.954 0.577 0.969 0.677 CB 1.713 66 residues pruned to eliminate duplicates Z: 16 37.492 2.212 1.105 0.932 1.000 0.933 CA 1.452 16 residues pruned to eliminate duplicates Z: 14 31.804 2.127 0.973 0.888 1.000 0.846 CB 1.515 14 residues pruned to eliminate duplicates Z: 49 50.555 2.155 0.962 0.641 0.979 0.667 CB 1.544 49 residues pruned to eliminate duplicates Z: 66 61.608 2.285 0.861 0.588 0.969 0.692 CB 1.704 66 residues pruned to eliminate duplicates Z: 68 57.338 2.249 0.837 0.568 0.925 0.701 CB 1.715 68 residues pruned to eliminate duplicates Z: 65 69.204 2.359 0.961 0.597 0.969 0.781 CB 1.760 65 residues pruned to eliminate duplicates Z: 60 64.142 2.264 0.972 0.658 0.983 0.831 CB 1.644 60 residues pruned to eliminate duplicates Z: 21 26.034 2.084 0.964 0.532 0.900 0.650 CB 1.531 18 residues pruned to eliminate duplicates Z: 14 31.169 2.076 1.262 0.867 1.000 0.923 CB 1.347 14 residues pruned to eliminate duplicates Z: 46 48.003 2.227 1.002 0.590 0.911 0.644 CB 1.616 69 residues pruned to eliminate duplicates Z: 14 32.069 2.083 1.004 0.886 1.000 0.462 CB 1.537 14 residues pruned to eliminate duplicates Z: 87 61.416 2.201 0.872 0.612 0.930 0.628 CB 1.555 87 residues pruned to eliminate duplicates Z: 14 32.935 2.216 0.668 0.934 1.000 0.846 CA 1.723 14 residues pruned to eliminate duplicates Z: 17 30.070 2.170 0.737 0.797 1.000 0.625 CA 1.537 17 residues pruned to eliminate duplicates Z: 14 40.720 2.122 1.429 0.816 1.000 0.846 CB 1.665 14 residues pruned to eliminate duplicates Z: 21 21.200 1.968 0.682 0.811 0.800 0.400 CB 1.365 21 residues pruned to eliminate duplicates Z: 17 32.376 2.163 1.002 0.862 0.938 0.688 CA 1.464 17 residues pruned to eliminate duplicates Z: 14 26.040 2.074 0.809 0.862 0.923 0.692 CA 1.531 Z: 23 13.024 1.698 0.416 0.472 0.864 0.500 CB 1.375 23 residues pruned to eliminate duplicates Z: 65 70.295 2.358 0.991 0.601 0.984 0.703 CB 1.727 65 residues pruned to eliminate duplicates Z: 16 19.312 2.103 0.293 0.797 0.933 0.667 CA 1.516 16 residues pruned to eliminate duplicates Z: 29 35.072 2.153 1.186 0.637 0.786 0.500 CB 1.576 29 residues pruned to eliminate duplicates Z: 12 16.584 1.850 0.702 0.751 0.909 0.636 CB 1.396 Z: 14 22.284 2.124 0.597 0.818 0.846 0.385 CB 1.634 14 residues pruned to eliminate duplicates Z: 66 61.108 2.196 0.999 0.603 0.954 0.723 CB 1.641 66 residues pruned to eliminate duplicates Z: 62 66.073 2.294 1.021 0.606 0.951 0.738 CB 1.735 62 residues pruned to eliminate duplicates Z: 23 35.608 2.124 0.984 0.822 0.955 0.455 CB 1.428 24 residues pruned to eliminate duplicates Z: 26 38.359 2.263 0.983 0.690 0.920 0.440 CB 1.562 26 residues pruned to eliminate duplicates Z: 16 17.680 1.954 0.300 0.853 1.000 0.600 CA 1.328 16 residues pruned to eliminate duplicates Z: 58 68.573 2.280 1.070 0.639 1.000 0.737 CB 1.690 58 residues pruned to eliminate duplicates Z: 16 33.594 2.137 0.918 0.926 1.000 0.800 CA 1.484 16 residues pruned to eliminate duplicates Z: 63 64.972 2.222 1.031 0.630 0.984 0.742 CB 1.644 64 residues pruned to eliminate duplicates Z: 6 4.710 2.087 0.894 0.362 0.400 0.400 CB 1.545 6 residues pruned to eliminate duplicates Z: 14 23.703 2.167 0.293 0.938 1.000 1.000 CB 1.631 14 residues pruned to eliminate duplicates Z: 16 30.529 2.357 0.714 0.729 0.933 0.667 CA 1.701 16 residues pruned to eliminate duplicates Z: 10 19.007 2.096 0.734 0.777 1.000 0.444 CB 1.365 10 residues pruned to eliminate duplicates Z: 27 40.927 2.111 1.325 0.698 0.885 0.577 CB 1.544 26 residues pruned to eliminate duplicates Z: 17 19.654 2.001 0.296 0.730 0.938 0.562 CA 1.643 17 residues pruned to eliminate duplicates Z: 41 30.727 2.008 0.923 0.517 0.900 0.500 CB 1.374 43 residues pruned to eliminate duplicates Z: 15 30.292 2.153 0.764 0.936 0.929 0.714 CA 1.599 15 residues pruned to eliminate duplicates Z: 63 58.204 2.224 0.869 0.616 0.968 0.710 CB 1.646 63 residues pruned to eliminate duplicates Z: 67 64.682 2.331 0.955 0.585 0.939 0.758 CA 1.714 67 residues pruned to eliminate duplicates Z: 23 28.937 1.924 1.013 0.889 0.909 0.727 CB 1.261 26 residues pruned to eliminate duplicates Z: 16 18.243 2.101 0.312 0.765 1.000 0.533 CB 1.351 16 residues pruned to eliminate duplicates Z: 16 29.737 2.131 1.110 0.885 0.867 0.667 CA 1.423 16 residues pruned to eliminate duplicates Z: 13 32.105 2.195 1.271 0.877 1.000 0.500 CB 1.350 13 residues pruned to eliminate duplicates Z: 15 29.427 2.053 0.807 0.889 1.000 0.857 CA 1.527 14 residues pruned to eliminate duplicates Z: 15 24.625 2.078 0.722 0.947 1.000 0.929 CB 1.271 15 residues pruned to eliminate duplicates Z: 16 32.598 2.171 0.954 0.867 1.000 0.733 CA 1.451 16 residues pruned to eliminate duplicates Z: 27 38.141 2.180 1.171 0.701 0.885 0.500 CB 1.488 27 residues pruned to eliminate duplicates Z: 66 70.023 2.352 1.005 0.588 0.985 0.646 CB 1.720 66 residues pruned to eliminate duplicates Z: 18 31.382 2.169 1.002 0.553 1.000 0.824 CB 1.664 18 residues pruned to eliminate duplicates Z: 16 25.405 1.964 0.929 0.910 1.000 0.667 CB 1.227 16 residues pruned to eliminate duplicates Z: 12 21.032 2.104 0.594 0.818 0.909 0.545 CB 1.578 12 residues pruned to eliminate duplicates Z: 65 68.387 2.291 1.075 0.604 0.984 0.656 CB 1.654 64 residues pruned to eliminate duplicates Z: 23 42.558 2.125 1.221 0.822 0.955 0.727 CB 1.523 23 residues pruned to eliminate duplicates Z: 14 29.044 2.102 0.816 0.889 0.923 0.846 CA 1.645 16 residues pruned to eliminate duplicates Z: 15 33.100 2.069 1.034 0.908 1.000 0.786 CB 1.493 15 residues pruned to eliminate duplicates Z: 14 30.671 2.098 1.321 0.857 1.000 0.846 CB 1.288 14 residues pruned to eliminate duplicates Z: 6 11.096 1.900 0.870 0.771 0.800 0.600 C 1.373 6 residues pruned to eliminate duplicates Z: 59 64.764 2.249 1.032 0.635 0.983 0.810 CB 1.668 59 residues pruned to eliminate duplicates Z: 11 14.030 1.771 0.715 0.802 1.000 0.800 CB 1.122 11 residues pruned to eliminate duplicates Z: 65 61.998 2.261 0.925 0.618 0.969 0.734 CB 1.645 65 residues pruned to eliminate duplicates Z: 15 21.272 2.084 0.509 0.820 0.929 0.500 CB 1.476 15 residues pruned to eliminate duplicates Z: 60 61.487 2.237 0.968 0.616 0.983 0.729 CB 1.658 60 residues pruned to eliminate duplicates Z: 44 48.733 2.213 1.099 0.614 0.930 0.558 CB 1.543 43 residues pruned to eliminate duplicates Z: 11 17.417 1.950 0.669 0.822 0.900 0.700 CB 1.423 11 residues pruned to eliminate duplicates Z: 12 32.504 2.290 1.052 0.880 1.000 1.000 CB 1.511 12 residues pruned to eliminate duplicates Z: 65 66.704 2.350 0.939 0.601 0.969 0.734 CB 1.716 65 residues pruned to eliminate duplicates Z: 65 74.501 2.362 1.121 0.604 0.969 0.750 CB 1.738 65 residues pruned to eliminate duplicates Z: 24 24.757 2.058 0.788 0.720 0.870 0.565 CB 1.322 24 residues pruned to eliminate duplicates Z: 39 43.617 2.153 1.243 0.599 0.895 0.579 CB 1.489 39 residues pruned to eliminate duplicates Z: 60 45.876 2.102 0.683 0.582 0.949 0.678 CB 1.644 60 residues pruned to eliminate duplicates Z: 60 62.125 2.282 0.963 0.639 0.966 0.661 CB 1.640 60 residues pruned to eliminate duplicates Z: 68 60.671 2.265 0.822 0.580 0.970 0.716 CB 1.715 68 residues pruned to eliminate duplicates Z: 6 8.780 1.989 1.521 0.502 0.600 0.400 CB 1.304 Z: 14 22.382 1.973 0.738 0.872 0.923 0.692 CB 1.430 14 residues pruned to eliminate duplicates Z: 14 29.740 2.107 1.047 0.843 0.923 0.769 CB 1.542 14 residues pruned to eliminate duplicates Z: 38 35.529 2.150 1.133 0.465 0.892 0.595 CB 1.481 38 residues pruned to eliminate duplicates Z: 10 14.286 1.769 0.923 0.788 0.889 0.667 CA 1.223 10 residues pruned to eliminate duplicates Z: 13 27.910 2.052 0.948 0.906 1.000 0.917 CA 1.434 13 residues pruned to eliminate duplicates Z: 58 63.988 2.311 0.896 0.649 0.982 0.719 CB 1.714 58 residues pruned to eliminate duplicates Z: 10 19.333 1.919 0.987 0.790 0.889 0.333 CB 1.474 10 residues pruned to eliminate duplicates Z: 67 57.258 2.289 0.907 0.566 0.924 0.636 CB 1.639 67 residues pruned to eliminate duplicates Z: 13 24.260 2.150 0.712 0.858 0.917 0.583 CB 1.529 13 residues pruned to eliminate duplicates Z: 14 27.182 2.117 0.787 0.892 1.000 0.846 CB 1.432 14 residues pruned to eliminate duplicates Z: 12 14.300 1.786 0.744 0.770 1.000 0.545 CB 1.090 Z: 13 30.409 2.146 0.963 0.901 0.917 0.917 CB 1.622 13 residues pruned to eliminate duplicates Z: 66 68.643 2.348 1.006 0.578 0.985 0.723 CB 1.703 66 residues pruned to eliminate duplicates Z: 67 60.696 2.275 0.855 0.577 0.955 0.742 CB 1.722 67 residues pruned to eliminate duplicates Z: 14 37.011 2.202 1.050 0.926 1.000 0.692 CB 1.594 14 residues pruned to eliminate duplicates Z: 14 21.797 2.175 0.499 0.800 0.923 0.692 CB 1.545 14 residues pruned to eliminate duplicates Z: 17 19.670 2.055 0.385 0.799 0.875 0.750 CB 1.521 17 residues pruned to eliminate duplicates Z: 28 42.686 2.140 1.122 0.725 0.889 0.593 CB 1.661 28 residues pruned to eliminate duplicates Z: 20 31.315 2.065 0.714 0.853 0.947 0.842 CB 1.583 20 residues pruned to eliminate duplicates Z: 14 36.928 2.151 1.120 0.868 1.000 0.692 CB 1.641 14 residues pruned to eliminate duplicates Z: 21 16.096 1.958 1.039 0.359 0.750 0.500 CB 1.399 48 residues pruned to eliminate duplicates Z: 60 61.312 2.295 0.825 0.646 0.983 0.729 CB 1.692 60 residues pruned to eliminate duplicates Z: 19 17.257 2.078 0.687 0.396 0.778 0.722 CA 1.666 19 residues pruned to eliminate duplicates Z: 16 27.848 2.059 0.936 0.925 1.000 0.933 CB 1.266 16 residues pruned to eliminate duplicates Z: 16 19.432 2.064 0.293 0.752 1.000 0.533 CA 1.501 16 residues pruned to eliminate duplicates Z: 14 28.485 2.134 0.887 0.900 0.923 0.769 CB 1.518 14 residues pruned to eliminate duplicates Z: 64 65.866 2.283 0.905 0.627 0.968 0.730 CB 1.749 64 residues pruned to eliminate duplicates Z: 15 33.412 2.155 0.833 0.946 1.000 0.929 CA 1.563 15 residues pruned to eliminate duplicates Z: 12 11.880 1.806 0.371 0.810 1.000 0.727 CB 1.104 12 residues pruned to eliminate duplicates Z: 17 22.972 2.104 0.506 0.891 0.938 0.750 CA 1.390 17 residues pruned to eliminate duplicates Z: 15 27.437 2.332 0.547 0.758 0.929 0.500 CA 1.740 15 residues pruned to eliminate duplicates Z: 15 34.859 2.395 0.852 0.667 1.000 0.714 CB 1.799 15 residues pruned to eliminate duplicates Z: 50 52.029 2.234 0.932 0.648 0.959 0.571 CB 1.563 50 residues pruned to eliminate duplicates Z: 16 20.916 2.108 0.448 0.767 0.867 0.600 CA 1.611 16 residues pruned to eliminate duplicates Z: 9 16.969 1.989 0.834 0.852 0.875 0.500 CA 1.389 9 residues pruned to eliminate duplicates Z: 31 17.484 1.950 0.681 0.505 0.800 0.533 CB 1.211 31 residues pruned to eliminate duplicates Z: 42 59.965 2.329 1.007 0.700 0.976 0.707 CA 1.711 42 residues pruned to eliminate duplicates Z: 23 29.817 1.936 0.797 0.832 0.909 0.818 CB 1.508 Z: 14 28.993 2.181 0.628 0.944 1.000 0.846 CA 1.569 14 residues pruned to eliminate duplicates Z: 17 29.410 1.889 1.025 0.839 0.938 0.750 CA 1.531 16 residues pruned to eliminate duplicates Z: 23 31.914 1.963 0.802 0.878 0.955 0.727 CB 1.463 23 residues pruned to eliminate duplicates Z: 17 23.817 2.176 0.591 0.783 0.812 0.750 CB 1.650 17 residues pruned to eliminate duplicates Z: 16 19.788 2.073 0.630 0.750 0.800 0.533 CA 1.512 16 residues pruned to eliminate duplicates Z: 65 61.311 2.262 0.947 0.621 0.953 0.609 CB 1.628 65 residues pruned to eliminate duplicates Z: 48 40.256 2.171 0.968 0.592 0.872 0.553 CB 1.443 83 residues pruned to eliminate duplicates Z: 23 32.218 1.995 0.994 0.859 0.955 0.591 CB 1.331 25 residues pruned to eliminate duplicates Z: 15 32.059 2.070 0.912 0.935 1.000 0.857 CB 1.508 15 residues pruned to eliminate duplicates Z: 23 31.596 1.955 0.801 0.826 0.955 0.545 CA 1.512 23 residues pruned to eliminate duplicates Z: 13 19.579 2.188 0.365 0.824 0.917 0.750 CB 1.559 13 residues pruned to eliminate duplicates Z: 16 19.597 1.987 0.656 0.745 0.867 0.600 CB 1.425 16 residues pruned to eliminate duplicates Z: 13 32.612 2.172 1.084 0.863 1.000 0.667 CB 1.526 13 residues pruned to eliminate duplicates Z: 13 4.933 1.633 0.045 0.475 0.833 0.667 CB 1.028 Z: 66 68.536 2.330 0.986 0.598 0.954 0.723 CB 1.754 66 residues pruned to eliminate duplicates Z: 22 20.539 1.950 0.766 0.816 0.857 0.476 CB 1.154 22 residues pruned to eliminate duplicates Z: 14 23.406 2.116 0.758 0.860 0.846 0.615 CA 1.516 14 residues pruned to eliminate duplicates Z: 16 22.759 1.963 0.696 0.933 1.000 0.933 CB 1.232 16 residues pruned to eliminate duplicates Z: 64 59.894 2.230 1.049 0.613 0.952 0.746 CB 1.558 29 residues pruned to eliminate duplicates Z: 62 60.971 2.255 0.986 0.604 0.951 0.770 CB 1.660 62 residues pruned to eliminate duplicates Z: 10 12.871 1.837 0.537 0.846 0.778 0.667 CA 1.452 10 residues pruned to eliminate duplicates Z: 55 61.844 2.248 1.002 0.632 1.000 0.759 CB 1.651 55 residues pruned to eliminate duplicates Z: 19 25.194 2.189 0.775 0.581 0.889 0.722 CB 1.591 19 residues pruned to eliminate duplicates Z: 15 25.015 2.151 0.635 0.830 0.929 0.643 CA 1.540 15 residues pruned to eliminate duplicates Z: 26 48.123 2.287 1.258 0.763 0.920 0.680 CB 1.603 Z: 50 56.551 2.328 1.078 0.592 0.918 0.653 CA 1.665 50 residues pruned to eliminate duplicates Z: 17 15.072 2.022 0.160 0.833 0.875 0.500 CA 1.378 17 residues pruned to eliminate duplicates Z: 62 60.755 2.260 0.949 0.621 0.967 0.754 CB 1.629 65 residues pruned to eliminate duplicates Z: 7 2.399 1.635 0.025 0.351 0.667 0.333 CB 1.030 Z: 14 25.600 2.066 0.793 0.952 1.000 0.846 CB 1.320 14 residues pruned to eliminate duplicates Z: 55 46.196 2.200 0.780 0.615 0.907 0.685 CB 1.586 55 residues pruned to eliminate duplicates Z: 60 56.098 2.236 0.870 0.640 0.949 0.610 CB 1.614 60 residues pruned to eliminate duplicates Z: 36 50.698 2.252 1.224 0.733 0.886 0.600 CB 1.567 27 residues pruned to eliminate duplicates Z: 41 27.414 1.976 0.934 0.447 0.850 0.425 CB 1.409 35 residues pruned to eliminate duplicates Z: 15 29.879 2.030 0.881 0.876 1.000 0.929 CB 1.519 15 residues pruned to eliminate duplicates Z: 11 18.002 2.081 0.504 0.799 0.900 0.500 CA 1.557 11 residues pruned to eliminate duplicates Z: 17 26.672 2.173 0.884 0.687 0.812 0.438 CA 1.688 17 residues pruned to eliminate duplicates Z: 22 26.702 2.168 1.217 0.474 0.857 0.667 CB 1.452 22 residues pruned to eliminate duplicates Z: 10 10.776 2.108 0.656 0.362 1.000 0.444 CB 1.194 10 residues pruned to eliminate duplicates Z: 20 28.661 2.260 0.914 0.482 0.895 0.632 CB 1.730 20 residues pruned to eliminate duplicates Z: 6 2.933 1.564 0.344 0.442 0.800 0.400 CA 0.829 6 residues pruned to eliminate duplicates Z: 12 17.453 1.853 0.864 0.787 0.909 0.182 CB 1.302 Z: 32 48.005 2.237 1.313 0.643 0.935 0.548 CB 1.559 32 residues pruned to eliminate duplicates Z: 53 45.948 2.154 0.822 0.623 0.962 0.635 CB 1.504 53 residues pruned to eliminate duplicates Z: 16 25.605 2.006 0.754 0.921 1.000 0.800 CB 1.322 16 residues pruned to eliminate duplicates Z: 53 46.269 2.147 1.197 0.572 0.885 0.654 CB 1.435 97 residues pruned to eliminate duplicates Z: 6 3.249 1.454 0.261 0.692 0.800 0.600 CB 0.831 6 residues pruned to eliminate duplicates Z: 14 33.618 2.119 1.112 0.883 1.000 0.462 CB 1.507 14 residues pruned to eliminate duplicates Z: 41 52.970 2.223 0.926 0.688 0.950 0.625 CA 1.734 41 residues pruned to eliminate duplicates Z: 101 89.071 2.314 1.047 0.619 0.960 0.700 CB 1.750 101 residues pruned to eliminate duplicates Z: 15 11.766 1.775 0.558 0.433 0.857 0.643 CB 1.422 15 residues pruned to eliminate duplicates Z: 18 17.608 1.817 0.560 0.816 0.882 0.588 CB 1.297 18 residues pruned to eliminate duplicates Z: 10 3.909 1.651 0.652 0.224 0.667 0.556 CB 0.990 10 residues pruned to eliminate duplicates Z: 9 33.387 2.113 1.771 0.849 1.000 0.875 CB 1.495 10 residues pruned to eliminate duplicates Z: 79 63.047 2.162 1.049 0.623 0.936 0.667 CB 1.533 79 residues pruned to eliminate duplicates Z: 13 33.940 2.261 1.268 0.708 0.917 0.750 CB 1.725 Z: 15 27.806 2.220 0.767 0.801 0.929 0.643 CA 1.569 15 residues pruned to eliminate duplicates Z: 35 35.076 2.075 1.017 0.685 0.853 0.647 CB 1.422 47 residues pruned to eliminate duplicates Z: 17 22.987 1.972 0.687 0.898 1.000 0.875 CB 1.235 17 residues pruned to eliminate duplicates Z: 43 37.042 2.068 0.888 0.676 0.905 0.690 CB 1.376 36 residues pruned to eliminate duplicates Z: 15 24.949 2.122 0.696 0.922 0.929 0.929 CB 1.403 15 residues pruned to eliminate duplicates Z: 47 33.699 2.114 0.807 0.492 0.913 0.500 CB 1.436 89 residues pruned to eliminate duplicates Z: 64 54.373 2.243 0.816 0.593 0.937 0.619 CB 1.643 64 residues pruned to eliminate duplicates Z: 17 19.561 1.954 0.572 0.772 0.938 0.688 CA 1.336 17 residues pruned to eliminate duplicates Z: 8 6.879 1.877 -0.044 0.639 0.857 0.286 O 1.484 Z: 14 27.182 2.088 0.832 0.869 0.923 0.538 CB 1.559 Z: 28 35.897 2.098 1.164 0.662 0.926 0.556 CB 1.414 28 residues pruned to eliminate duplicates Z: 36 32.861 2.017 1.073 0.565 0.886 0.371 CB 1.408 35 residues pruned to eliminate duplicates Z: 55 63.452 2.260 0.947 0.677 1.000 0.815 CB 1.666 55 residues pruned to eliminate duplicates Z: 43 38.498 2.110 0.905 0.630 0.881 0.571 CB 1.485 35 residues pruned to eliminate duplicates Z: 67 55.938 2.197 0.917 0.568 0.955 0.667 CB 1.603 67 residues pruned to eliminate duplicates Z: 16 23.693 2.043 0.745 0.903 1.000 0.867 CB 1.222 16 residues pruned to eliminate duplicates Z: 15 33.480 2.145 0.815 0.945 1.000 0.929 CA 1.591 15 residues pruned to eliminate duplicates Z: 37 36.345 2.103 1.048 0.574 0.917 0.806 CB 1.429 37 residues pruned to eliminate duplicates Z: 16 21.308 2.023 0.634 0.741 0.867 0.667 CA 1.547 16 residues pruned to eliminate duplicates Z: 20 18.872 1.973 0.718 0.503 0.947 0.579 CB 1.344 20 residues pruned to eliminate duplicates Z: 70 60.809 2.217 0.996 0.559 0.942 0.652 CB 1.659 70 residues pruned to eliminate duplicates Z: 66 65.877 2.299 0.981 0.591 0.954 0.692 CB 1.724 66 residues pruned to eliminate duplicates Z: 60 61.227 2.292 0.929 0.615 0.983 0.695 CB 1.645 110 residues pruned to eliminate duplicates Z: 17 20.749 2.003 0.484 0.811 0.938 0.688 CB 1.419 17 residues pruned to eliminate duplicates Z: 9 9.025 1.740 -0.087 0.784 1.000 0.375 CB 1.564 Z: 16 27.102 2.207 0.624 0.910 0.933 0.800 CA 1.483 16 residues pruned to eliminate duplicates Z: 42 37.655 2.161 0.962 0.565 0.878 0.707 CB 1.483 Z: 56 63.889 2.236 1.009 0.662 1.000 0.727 CB 1.650 56 residues pruned to eliminate duplicates Z: 16 17.945 2.039 0.394 0.774 0.867 0.667 CB 1.476 16 residues pruned to eliminate duplicates Z: 18 19.309 1.891 0.612 0.873 0.941 0.765 CB 1.189 18 residues pruned to eliminate duplicates Z: 10 16.091 1.846 0.706 0.812 1.000 0.889 CA 1.298 10 residues pruned to eliminate duplicates Z: 54 64.606 2.268 1.153 0.639 0.981 0.736 CB 1.626 54 residues pruned to eliminate duplicates Z: 6 2.982 1.615 0.689 0.458 0.800 0.600 C 0.638 Z: 14 23.562 1.894 0.763 0.877 1.000 0.923 CA 1.422 14 residues pruned to eliminate duplicates Z: 14 27.119 2.041 0.761 0.877 1.000 0.769 CB 1.520 Z: 16 32.084 2.114 1.072 0.924 1.000 0.867 CA 1.328 16 residues pruned to eliminate duplicates Z: 25 28.494 1.937 0.776 0.784 0.958 0.667 CB 1.374 14 residues pruned to eliminate duplicates Z: 9 13.510 1.946 0.614 0.861 0.875 0.625 CB 1.277 9 residues pruned to eliminate duplicates Z: 65 57.491 2.275 0.832 0.586 0.953 0.703 CB 1.666 65 residues pruned to eliminate duplicates Z: 8 7.933 1.801 0.011 0.649 1.000 0.714 CB 1.434 Z: 49 48.666 2.162 0.901 0.623 0.958 0.729 CB 1.588 49 residues pruned to eliminate duplicates Z: 49 45.702 2.211 0.736 0.641 0.958 0.625 CB 1.572 49 residues pruned to eliminate duplicates Z: 16 24.348 2.039 0.890 0.892 1.000 0.800 CB 1.172 16 residues pruned to eliminate duplicates Z: 14 19.243 1.945 0.517 0.832 0.923 0.538 CA 1.471 14 residues pruned to eliminate duplicates Z: 15 33.246 2.132 0.881 0.933 1.000 0.929 CA 1.546 15 residues pruned to eliminate duplicates Z: 9 5.606 1.674 0.652 0.353 0.875 0.500 CB 0.960 Z: 16 20.750 2.018 0.605 0.781 0.867 0.667 CA 1.489 16 residues pruned to eliminate duplicates Z: 20 25.412 2.013 0.945 0.617 0.895 0.579 CB 1.490 20 residues pruned to eliminate duplicates Z: 23 31.622 1.997 0.974 0.841 0.909 0.727 CB 1.403 23 residues pruned to eliminate duplicates Z: 41 59.425 2.385 0.931 0.705 0.975 0.725 CA 1.736 41 residues pruned to eliminate duplicates Z: 21 29.676 2.090 1.031 0.830 0.900 0.650 CB 1.306 22 residues pruned to eliminate duplicates Z: 8 3.071 1.806 0.456 0.304 0.571 0.571 CB 0.961 8 residues pruned to eliminate duplicates Z: 16 19.596 2.038 0.297 0.902 1.000 0.733 CA 1.366 16 residues pruned to eliminate duplicates Z: 16 23.841 1.988 0.602 0.906 1.000 0.867 CB 1.375 16 residues pruned to eliminate duplicates Z: 66 67.132 2.356 0.987 0.576 0.954 0.631 CB 1.733 66 residues pruned to eliminate duplicates Z: 13 30.296 2.364 0.678 0.767 1.000 0.750 CB 1.740 13 residues pruned to eliminate duplicates Z: 15 29.448 2.025 1.001 0.875 0.929 0.857 CA 1.521 15 residues pruned to eliminate duplicates Z: 22 29.579 2.116 0.968 0.553 0.905 0.619 CA 1.627 22 residues pruned to eliminate duplicates Z: 11 17.393 1.975 0.788 0.552 0.900 0.700 C 1.645 Z: 13 22.770 1.998 1.323 0.672 0.917 0.833 CA 1.319 13 residues pruned to eliminate duplicates Z: 65 58.989 2.247 0.887 0.584 0.984 0.734 CB 1.631 65 residues pruned to eliminate duplicates Z: 11 17.781 1.782 0.842 0.874 1.000 0.800 CB 1.247 11 residues pruned to eliminate duplicates Z: 14 8.757 1.902 0.762 0.274 0.692 0.385 CB 1.354 14 residues pruned to eliminate duplicates Z: 12 34.159 2.280 1.094 0.904 0.909 0.364 CB 1.690 12 residues pruned to eliminate duplicates Z: 8 17.466 1.984 0.663 0.916 1.000 0.857 CB 1.413 8 residues pruned to eliminate duplicates Z: 18 6.307 1.561 0.189 0.422 0.765 0.647 CB 1.169 18 residues pruned to eliminate duplicates Z: 13 37.736 2.351 1.317 0.786 0.917 0.833 CA 1.697 11 residues pruned to eliminate duplicates Z: 13 24.930 2.183 1.157 0.645 0.833 0.750 CB 1.601 Z: 16 20.247 2.165 0.339 0.822 0.867 0.667 CA 1.574 16 residues pruned to eliminate duplicates Z: 10 3.192 1.638 0.312 0.226 0.889 0.333 CB 0.768 10 residues pruned to eliminate duplicates Z: 35 26.924 2.047 0.844 0.575 0.882 0.441 CB 1.289 35 residues pruned to eliminate duplicates Z: 12 30.329 2.109 0.988 0.929 1.000 1.000 CB 1.526 12 residues pruned to eliminate duplicates Z: 16 27.321 2.025 0.944 0.930 1.000 0.800 CB 1.253 16 residues pruned to eliminate duplicates Z: 15 20.251 1.921 1.138 0.553 0.929 0.643 CB 1.348 15 residues pruned to eliminate duplicates Z: 11 16.356 1.959 0.526 0.769 0.900 0.800 CB 1.515 11 residues pruned to eliminate duplicates Z: 11 11.887 1.738 1.150 0.397 0.900 0.600 CB 1.246 11 residues pruned to eliminate duplicates Z: 60 46.491 2.137 1.031 0.578 0.864 0.610 CB 1.497 60 residues pruned to eliminate duplicates Z: 15 30.111 2.085 1.013 0.929 1.000 0.929 CB 1.341 15 residues pruned to eliminate duplicates Z: 16 21.946 1.999 0.656 0.902 1.000 0.800 CB 1.221 16 residues pruned to eliminate duplicates Z: 14 12.622 1.839 0.675 0.767 0.923 0.462 CB 0.971 14 residues pruned to eliminate duplicates Z: 6 3.847 1.589 -0.055 0.531 1.000 0.600 C 1.110 Z: 17 24.649 2.110 0.735 0.871 1.000 0.875 CA 1.227 17 residues pruned to eliminate duplicates Z: 14 20.969 2.232 0.337 0.783 0.923 0.692 CA 1.644 14 residues pruned to eliminate duplicates Z: 11 14.132 1.642 0.718 0.849 1.000 0.600 CA 1.174 11 residues pruned to eliminate duplicates Z: 9 7.681 1.802 -0.037 0.658 1.000 0.500 CB 1.351 9 residues pruned to eliminate duplicates Z: 13 14.139 2.029 0.324 0.776 0.750 0.583 CA 1.587 13 residues pruned to eliminate duplicates Z: 15 25.799 2.082 0.780 0.911 0.857 0.643 CB 1.538 15 residues pruned to eliminate duplicates Z: 68 70.280 2.280 1.119 0.619 0.970 0.716 CB 1.638 68 residues pruned to eliminate duplicates Z: 25 15.474 1.868 0.550 0.451 0.875 0.542 CA 1.312 25 residues pruned to eliminate duplicates Z: 11 12.673 2.027 0.370 0.840 0.800 0.400 CB 1.347 11 residues pruned to eliminate duplicates Z: 13 26.118 2.112 1.212 0.737 0.917 0.833 CB 1.424 13 residues pruned to eliminate duplicates Z: 48 58.064 2.317 1.029 0.642 0.936 0.681 CA 1.684 48 residues pruned to eliminate duplicates Z: 11 5.051 1.734 -0.184 0.471 1.000 0.600 CB 1.163 13 residues pruned to eliminate duplicates Z: 14 20.042 2.008 0.580 0.887 0.923 0.538 CB 1.369 14 residues pruned to eliminate duplicates Z: 11 6.911 1.661 0.111 0.594 0.900 0.800 CB 1.203 Z: 38 26.084 2.022 0.902 0.527 0.838 0.622 CB 1.296 38 residues pruned to eliminate duplicates Z: 11 23.470 2.192 0.796 0.696 1.000 0.900 CB 1.576 11 residues pruned to eliminate duplicates Z: 11 21.558 1.934 0.857 0.847 1.000 0.700 CB 1.408 12 residues pruned to eliminate duplicates Z: 21 19.791 2.052 0.882 0.460 0.800 0.450 CB 1.492 21 residues pruned to eliminate duplicates Z: 15 19.597 2.044 0.293 0.921 1.000 0.786 CB 1.395 15 residues pruned to eliminate duplicates Z: 15 40.472 2.140 1.169 0.938 1.000 0.714 CB 1.620 15 residues pruned to eliminate duplicates Z: 17 34.490 2.359 1.264 0.529 0.938 0.750 CB 1.674 17 residues pruned to eliminate duplicates Z: 112 85.665 2.270 1.022 0.624 0.964 0.676 CB 1.636 112 residues pruned to eliminate duplicates Z: 10 22.454 2.123 1.166 0.756 0.889 0.778 CB 1.458 10 residues pruned to eliminate duplicates Z: 8 3.325 1.640 0.585 0.308 0.857 0.571 CB 0.698 Z: 11 21.283 1.898 1.088 0.896 1.000 0.700 CB 1.217 11 residues pruned to eliminate duplicates Z: 16 20.664 2.036 0.416 0.805 0.933 0.600 CB 1.519 16 residues pruned to eliminate duplicates Z: 63 70.531 2.383 1.021 0.586 0.968 0.710 CB 1.769 63 residues pruned to eliminate duplicates Z: 12 17.240 1.858 0.763 0.805 1.000 0.545 CB 1.216 Z: 12 10.663 1.865 0.344 0.734 0.909 0.455 CB 1.143 12 residues pruned to eliminate duplicates Z: 17 14.244 1.921 0.489 0.463 0.875 0.750 CB 1.478 17 residues pruned to eliminate duplicates Z: 9 4.660 1.681 -0.003 0.667 0.875 0.625 CB 0.963 Z: 7 4.837 1.598 0.447 0.342 0.833 0.333 C 1.217 Z: 6 5.372 1.800 -0.254 0.777 1.000 0.600 O 1.401 Z: 15 31.993 2.142 0.768 0.913 1.000 0.786 CA 1.599 15 residues pruned to eliminate duplicates Z: 13 7.943 1.648 0.942 0.305 0.917 0.667 CB 0.971 13 residues pruned to eliminate duplicates Z: 63 55.378 2.269 0.798 0.610 0.919 0.694 CB 1.690 63 residues pruned to eliminate duplicates Z: 13 12.865 1.985 0.296 0.834 0.833 0.583 CB 1.298 13 residues pruned to eliminate duplicates Z: 84 72.168 2.231 1.040 0.622 0.952 0.735 CB 1.630 84 residues pruned to eliminate duplicates Z: 10 15.930 1.982 0.647 0.729 0.889 0.667 CB 1.488 10 residues pruned to eliminate duplicates Z: 30 40.593 2.127 1.059 0.701 0.966 0.862 CB 1.484 30 residues pruned to eliminate duplicates Z: 124 89.336 2.315 0.934 0.582 0.959 0.699 CB 1.734 67 residues pruned to eliminate duplicates Z: 14 15.766 2.081 0.539 0.701 0.769 0.615 CB 1.478 14 residues pruned to eliminate duplicates Z: 8 16.693 2.154 0.424 0.776 1.000 0.571 CB 1.612 8 residues pruned to eliminate duplicates Z: 6 3.057 1.768 -0.380 0.609 0.800 0.600 O 1.405 6 residues pruned to eliminate duplicates Z: 15 22.794 2.055 0.853 0.932 1.000 0.857 CB 1.118 15 residues pruned to eliminate duplicates Z: 6 7.281 1.819 0.550 0.629 0.800 0.800 CB 1.279 6 residues pruned to eliminate duplicates Z: 15 37.726 2.209 1.132 0.928 1.000 0.429 CA 1.499 15 residues pruned to eliminate duplicates Z: 9 7.496 1.789 -0.149 0.715 1.000 0.625 O 1.432 7 1.940 1.713 -0.320 0.464 0.667 0.500 CB 1.057 ? Z: 64 61.126 2.301 0.944 0.610 0.937 0.778 CB 1.655 64 residues pruned to eliminate duplicates Z: 50 50.359 2.188 1.215 0.614 0.857 0.510 CB 1.555 45 residues pruned to eliminate duplicates Z: 63 59.618 2.265 0.822 0.605 0.952 0.694 CB 1.745 63 residues pruned to eliminate duplicates Z: 9 11.352 2.011 0.367 0.863 0.875 0.625 CB 1.224 9 residues pruned to eliminate duplicates Z: 11 14.551 1.867 1.172 0.820 0.800 0.700 CB 1.075 11 residues pruned to eliminate duplicates Z: 12 16.165 1.920 0.830 0.871 0.909 0.545 CB 1.113 12 residues pruned to eliminate duplicates Z: 24 20.142 2.108 0.992 0.366 0.870 0.609 CB 1.327 24 residues pruned to eliminate duplicates Z: 7 6.485 1.594 0.010 0.714 1.000 0.667 N 1.355 9 residues pruned to eliminate duplicates Z: 14 29.114 2.047 1.029 0.874 1.000 0.923 CB 1.415 14 residues pruned to eliminate duplicates Z: 67 59.518 2.238 0.936 0.598 0.955 0.682 CB 1.614 67 residues pruned to eliminate duplicates Z: 14 24.961 2.103 0.879 0.942 1.000 0.846 CB 1.215 14 residues pruned to eliminate duplicates Z: 12 15.955 1.805 0.576 0.788 1.000 0.727 CB 1.313 12 residues pruned to eliminate duplicates Z: 31 32.799 2.046 0.863 0.577 0.933 0.900 CB 1.562 44 residues pruned to eliminate duplicates Z: 10 6.882 1.808 -0.142 0.630 0.889 0.667 O 1.472 10 residues pruned to eliminate duplicates Z: 14 10.966 1.623 0.681 0.426 0.923 0.615 N 1.305 Z: 62 61.945 2.259 0.898 0.639 0.984 0.803 CB 1.651 62 residues pruned to eliminate duplicates Z: 10 6.696 1.730 0.166 0.574 0.778 0.667 CA 1.325 9 residues pruned to eliminate duplicates Z: 6 2.532 1.595 0.460 0.298 0.600 0.400 N 1.016 Z: 10 7.310 1.996 0.252 0.364 0.778 0.556 CA 1.451 10 residues pruned to eliminate duplicates Z: 6 6.252 1.956 -0.354 0.807 1.000 1.000 N 1.694 6 residues pruned to eliminate duplicates Z: 37 38.966 2.156 0.994 0.664 0.861 0.639 CB 1.507 52 residues pruned to eliminate duplicates Z: 10 6.736 1.876 0.890 0.218 0.778 0.333 CB 1.135 Z: 65 56.157 2.251 0.881 0.596 0.938 0.641 CB 1.613 65 residues pruned to eliminate duplicates Z: 62 61.487 2.254 0.776 0.651 0.951 0.803 CA 1.797 62 residues pruned to eliminate duplicates Z: 17 18.312 2.003 0.326 0.792 0.938 0.688 CA 1.424 17 residues pruned to eliminate duplicates Z: 23 26.818 2.064 0.922 0.489 0.955 0.682 CA 1.527 22 residues pruned to eliminate duplicates Z: 32 43.777 2.213 1.098 0.663 0.903 0.839 CB 1.612 32 residues pruned to eliminate duplicates Z: 61 55.691 2.262 0.873 0.636 0.900 0.717 CB 1.659 61 residues pruned to eliminate duplicates Z: 24 24.406 1.898 0.726 0.831 0.913 0.652 CB 1.278 24 residues pruned to eliminate duplicates Z: 15 6.238 1.577 0.265 0.379 0.929 0.500 CB 1.024 6 residues pruned to eliminate duplicates Z: 8 3.432 1.709 -0.194 0.669 1.000 0.714 CB 0.806 8 residues pruned to eliminate duplicates Z: 8 5.659 1.712 0.568 0.412 0.857 0.286 CB 1.020 5 residues pruned to eliminate duplicates Z: 14 28.019 2.053 1.304 0.767 0.923 0.846 CA 1.405 14 residues pruned to eliminate duplicates Z: 12 14.400 1.842 0.790 0.800 1.000 0.727 CB 1.013 Z: 85 59.551 2.177 0.975 0.600 0.893 0.560 CB 1.538 85 residues pruned to eliminate duplicates Z: 60 58.624 2.252 0.913 0.635 0.966 0.712 CB 1.616 60 residues pruned to eliminate duplicates Z: 85 58.360 2.136 0.819 0.628 0.952 0.690 CB 1.525 85 residues pruned to eliminate duplicates Z: 6 3.045 1.452 0.383 0.298 0.800 0.600 C 1.062 Z: 43 38.999 2.138 1.057 0.579 0.881 0.667 CB 1.440 43 residues pruned to eliminate duplicates Z: 6 5.860 1.793 0.153 0.354 1.000 0.600 CB 1.483 Z: 65 54.221 2.227 0.829 0.582 0.969 0.688 CB 1.588 65 residues pruned to eliminate duplicates Z: 21 28.699 2.194 0.936 0.536 0.950 0.650 CB 1.535 21 residues pruned to eliminate duplicates Z: 16 28.370 2.038 1.034 0.942 1.000 0.800 CB 1.226 16 residues pruned to eliminate duplicates Z: 6 4.376 1.503 0.143 0.687 1.000 1.000 CB 0.960 Z: 47 49.107 2.182 0.965 0.606 0.935 0.717 CB 1.633 47 residues pruned to eliminate duplicates Z: 15 23.046 2.039 0.581 0.918 1.000 0.857 CB 1.347 15 residues pruned to eliminate duplicates Z: 6 5.378 1.817 0.057 0.503 0.800 0.400 C 1.561 6 residues pruned to eliminate duplicates Z: 24 25.953 2.015 0.859 0.796 0.870 0.522 CB 1.282 36 residues pruned to eliminate duplicates Z: 54 58.024 2.308 0.785 0.610 1.000 0.792 CB 1.744 75 residues pruned to eliminate duplicates Z: 25 33.463 2.341 1.123 0.460 0.833 0.625 CB 1.718 25 residues pruned to eliminate duplicates Z: 116 81.835 2.260 0.974 0.606 0.957 0.696 CB 1.616 116 residues pruned to eliminate duplicates Z: 15 14.452 2.035 -0.088 0.932 1.000 1.000 CA 1.454 15 residues pruned to eliminate duplicates Z: 15 32.318 2.188 0.899 0.921 1.000 0.857 CA 1.463 15 residues pruned to eliminate duplicates Z: 7 7.218 2.028 -0.278 0.826 0.833 0.500 C 1.820 7 residues pruned to eliminate duplicates Z: 13 20.171 1.838 0.873 0.827 1.000 0.583 CB 1.275 12 residues pruned to eliminate duplicates Z: 10 6.424 1.580 0.057 0.564 0.889 0.444 O 1.356 10 residues pruned to eliminate duplicates Z: 31 52.070 2.349 1.134 0.637 0.933 0.767 CB 1.786 31 residues pruned to eliminate duplicates Z: 19 25.710 2.161 0.734 0.527 0.944 0.611 CB 1.667 19 residues pruned to eliminate duplicates Z: 17 26.346 1.941 0.952 0.921 1.000 0.438 CB 1.223 17 residues pruned to eliminate duplicates Z: 11 10.519 1.871 0.924 0.548 0.900 0.600 CB 0.980 Z: 63 63.005 2.313 0.878 0.597 0.968 0.661 CB 1.735 63 residues pruned to eliminate duplicates Z: 14 27.107 2.114 1.442 0.700 0.769 0.692 CB 1.578 14 residues pruned to eliminate duplicates Z: 15 16.541 2.064 0.077 0.889 1.000 0.929 CA 1.431 15 residues pruned to eliminate duplicates Z: 14 23.388 2.079 0.705 0.854 1.000 0.692 CB 1.352 14 residues pruned to eliminate duplicates Z: 65 62.264 2.258 1.081 0.582 0.938 0.625 CA 1.632 65 residues pruned to eliminate duplicates Z: 25 21.677 1.900 0.823 0.725 0.833 0.458 CB 1.252 25 residues pruned to eliminate duplicates Z: 9 5.881 1.698 0.119 0.492 0.875 0.500 CB 1.261 9 residues pruned to eliminate duplicates Z: 8 9.407 1.851 0.855 0.321 0.857 0.571 CA 1.471 Z: 29 23.309 2.027 0.819 0.632 0.821 0.571 CB 1.285 29 residues pruned to eliminate duplicates Z: 6 10.778 1.991 0.412 0.883 1.000 1.000 CB 1.240 6 residues pruned to eliminate duplicates Z: 10 26.528 2.063 1.648 0.740 0.889 0.889 CB 1.469 10 residues pruned to eliminate duplicates Z: 22 32.778 1.987 1.062 0.801 0.905 0.714 CB 1.483 22 residues pruned to eliminate duplicates Z: 13 24.387 2.112 0.723 0.841 0.917 0.333 CA 1.574 13 residues pruned to eliminate duplicates Z: 15 30.645 1.979 1.076 0.888 1.000 0.643 CB 1.436 15 residues pruned to eliminate duplicates Z: 57 55.283 2.152 0.950 0.630 0.982 0.679 CB 1.586 57 residues pruned to eliminate duplicates Z: 7 4.960 1.537 0.052 0.542 1.000 0.833 C 1.202 7 residues pruned to eliminate duplicates Z: 10 12.013 1.991 0.879 0.344 0.889 0.556 CB 1.426 10 residues pruned to eliminate duplicates Z: 16 31.319 2.061 1.037 0.936 0.933 0.600 CA 1.437 16 residues pruned to eliminate duplicates Z: 7 14.219 1.870 0.681 0.762 1.000 0.667 CB 1.463 7 residues pruned to eliminate duplicates Z: 16 33.538 2.119 0.932 0.936 0.933 0.600 CA 1.578 16 residues pruned to eliminate duplicates Z: 6 2.685 1.220 0.731 0.377 0.800 0.600 CB 0.811 Z: 7 6.480 1.851 -0.292 0.855 1.000 1.000 N 1.490 7 residues pruned to eliminate duplicates Z: 11 8.210 1.581 0.488 0.707 0.800 0.800 CB 1.143 7 residues pruned to eliminate duplicates Z: 17 20.634 2.003 0.652 0.742 0.938 0.625 CB 1.339 17 residues pruned to eliminate duplicates Z: 11 7.920 1.685 0.119 0.607 0.900 0.700 CB 1.332 Z: 28 27.898 2.045 0.952 0.607 0.889 0.741 CB 1.367 28 residues pruned to eliminate duplicates Z: 79 46.796 2.082 0.811 0.538 0.923 0.590 CB 1.467 79 residues pruned to eliminate duplicates Z: 12 11.685 1.807 0.439 0.811 1.000 0.727 CB 1.033 12 residues pruned to eliminate duplicates Z: 55 61.654 2.262 0.975 0.675 0.981 0.833 CB 1.628 55 residues pruned to eliminate duplicates Z: 19 28.600 2.047 1.099 0.591 0.944 0.611 CB 1.522 19 residues pruned to eliminate duplicates Z: 7 4.120 1.515 0.062 0.554 1.000 0.667 CB 0.992 4 residues pruned to eliminate duplicates Z: 57 53.221 2.236 0.987 0.591 0.929 0.768 CB 1.580 57 residues pruned to eliminate duplicates Z: 6 6.358 1.820 0.813 0.643 1.000 0.600 N 0.754 6 residues pruned to eliminate duplicates Z: 27 28.663 2.165 0.817 0.531 0.885 0.577 CB 1.566 27 residues pruned to eliminate duplicates Z: 9 5.154 1.630 0.284 0.407 0.875 0.625 CB 1.097 8 residues pruned to eliminate duplicates Z: 17 7.637 1.809 0.612 0.270 0.625 0.312 CA 1.361 17 residues pruned to eliminate duplicates Z: 61 68.439 2.292 0.989 0.658 0.967 0.733 CA 1.732 61 residues pruned to eliminate duplicates Z: 17 22.988 2.087 1.013 0.579 0.875 0.500 CA 1.449 Z: 32 47.310 2.156 1.192 0.667 0.968 0.677 CB 1.593 32 residues pruned to eliminate duplicates Z: 13 16.039 1.781 0.786 0.743 0.917 0.667 CB 1.277 13 residues pruned to eliminate duplicates Z: 20 29.008 2.189 0.887 0.486 1.000 0.526 CB 1.634 20 residues pruned to eliminate duplicates Z: 17 9.298 1.774 0.911 0.237 0.750 0.375 CB 1.241 Z: 30 16.310 1.899 0.608 0.457 0.828 0.310 CB 1.253 30 residues pruned to eliminate duplicates Z: 10 4.737 1.601 0.111 0.577 0.889 0.667 CB 0.927 10 residues pruned to eliminate duplicates Z: 21 31.319 2.084 0.928 0.830 0.950 0.550 CB 1.380 21 residues pruned to eliminate duplicates Z: 40 47.650 2.203 0.747 0.720 0.974 0.795 CA 1.668 40 residues pruned to eliminate duplicates Z: 13 10.389 2.027 0.828 0.301 0.667 0.500 CB 1.517 13 residues pruned to eliminate duplicates Z: 20 21.268 2.136 1.030 0.448 0.842 0.684 CA 1.409 20 residues pruned to eliminate duplicates Z: 11 23.685 2.162 0.714 0.786 0.900 0.400 CA 1.746 11 residues pruned to eliminate duplicates Z: 16 23.785 2.180 0.555 0.720 0.933 0.533 CA 1.591 16 residues pruned to eliminate duplicates Z: 45 53.166 2.238 0.960 0.617 0.977 0.659 CB 1.674 51 residues pruned to eliminate duplicates Z: 10 7.256 1.625 0.371 0.537 0.778 0.556 CB 1.347 10 residues pruned to eliminate duplicates Z: 7 4.818 1.637 0.292 0.537 0.667 0.667 O 1.344 Z: 15 26.574 2.089 0.887 0.904 0.929 0.286 CB 1.382 15 residues pruned to eliminate duplicates Z: 17 26.185 1.927 0.928 0.865 0.875 0.438 CB 1.476 17 residues pruned to eliminate duplicates Z: 7 2.341 1.565 0.322 0.300 0.667 0.667 N 0.866 6 0.881 1.525 -0.310 0.471 0.600 0.600 CB 0.643 ? Z: 18 19.646 1.906 0.595 0.759 0.882 0.529 CB 1.411 18 residues pruned to eliminate duplicates Z: 14 27.388 2.092 1.142 0.765 1.000 0.692 CB 1.339 13 residues pruned to eliminate duplicates Z: 6 5.623 1.743 0.490 0.557 0.800 0.600 CA 1.145 6 residues pruned to eliminate duplicates 6 0.654 1.171 0.205 0.390 1.000 0.600 CB 0.233 ? Z: 59 47.296 2.163 0.883 0.599 0.931 0.759 CB 1.490 59 residues pruned to eliminate duplicates Z: 6 4.943 1.532 0.510 0.403 0.800 0.400 N 1.323 Z: 43 47.497 2.188 0.840 0.671 0.976 0.786 CB 1.593 43 residues pruned to eliminate duplicates Z: 13 29.099 1.937 1.395 0.713 1.000 0.917 CA 1.492 13 residues pruned to eliminate duplicates Z: 10 9.318 1.834 0.364 0.555 0.889 0.444 CB 1.324 9 residues pruned to eliminate duplicates Z: 9 12.185 1.918 0.772 0.546 1.000 0.750 CB 1.213 13 residues pruned to eliminate duplicates 6 1.330 1.119 0.055 0.342 0.600 0.600 O 0.996 ? Z: 10 9.763 1.924 0.498 0.421 0.889 0.444 CA 1.379 10 residues pruned to eliminate duplicates Z: 17 16.599 1.904 0.422 0.710 0.938 0.688 CA 1.351 17 residues pruned to eliminate duplicates Z: 16 18.373 1.976 1.242 0.627 0.733 0.667 CB 1.295 16 residues pruned to eliminate duplicates 6 1.138 1.185 -0.136 0.351 0.800 0.800 CA 0.730 ? Z: 26 44.955 2.242 1.139 0.693 0.960 0.640 CA 1.637 26 residues pruned to eliminate duplicates Z: 42 44.342 2.250 1.036 0.578 0.927 0.659 CA 1.514 42 residues pruned to eliminate duplicates Z: 7 8.607 1.914 0.819 0.690 1.000 0.500 N 0.848 7 residues pruned to eliminate duplicates Z: 11 8.385 1.791 0.121 0.733 0.900 0.700 CB 1.191 Z: 13 22.839 2.080 1.192 0.732 1.000 0.750 CB 1.174 13 residues pruned to eliminate duplicates Z: 16 16.952 1.962 0.963 0.497 0.933 0.733 CA 1.222 14 residues pruned to eliminate duplicates Z: 12 7.068 1.713 0.575 0.537 0.818 0.545 CB 0.931 11 residues pruned to eliminate duplicates Z: 33 46.648 2.158 0.958 0.746 1.000 0.875 CB 1.566 33 residues pruned to eliminate duplicates Z: 14 19.233 2.042 1.059 0.567 0.846 0.769 CA 1.405 14 residues pruned to eliminate duplicates Z: 32 29.446 2.082 0.909 0.599 0.806 0.484 CB 1.501 45 residues pruned to eliminate duplicates Z: 6 3.490 1.743 0.094 0.647 1.000 1.000 CB 0.714 Z: 35 44.734 2.155 1.004 0.702 0.971 0.588 CB 1.523 35 residues pruned to eliminate duplicates Z: 16 25.672 2.141 0.543 0.797 0.933 0.733 CA 1.658 16 residues pruned to eliminate duplicates Z: 16 29.969 2.079 0.915 0.950 0.933 0.733 CB 1.437 16 residues pruned to eliminate duplicates Z: 7 7.581 2.055 0.978 0.355 0.667 0.500 CA 1.335 7 residues pruned to eliminate duplicates Z: 34 45.492 2.254 0.945 0.561 1.000 0.606 CB 1.702 34 residues pruned to eliminate duplicates Z: 67 53.605 2.125 1.015 0.657 0.909 0.621 CB 1.465 29 residues pruned to eliminate duplicates Z: 6 2.708 1.327 0.078 0.505 1.000 0.600 CB 0.842 Z: 70 65.246 2.198 0.970 0.646 0.971 0.710 CB 1.630 88 residues pruned to eliminate duplicates Z: 20 42.002 2.205 1.275 0.633 1.000 0.579 CB 1.695 20 residues pruned to eliminate duplicates Z: 27 29.220 2.161 1.001 0.448 0.923 0.731 CB 1.513 27 residues pruned to eliminate duplicates Z: 6 2.932 1.557 0.306 0.196 0.800 0.400 N 1.158 Z: 44 45.024 2.211 1.058 0.644 0.860 0.512 CB 1.532 75 residues pruned to eliminate duplicates Z: 58 65.515 2.278 1.021 0.637 0.982 0.754 CB 1.687 58 residues pruned to eliminate duplicates Z: 12 25.839 2.163 0.749 0.853 0.909 0.636 CA 1.674 12 residues pruned to eliminate duplicates Z: 6 7.102 1.567 0.477 0.665 1.000 0.200 C 1.179 Z: 10 10.844 2.000 0.536 0.347 1.000 0.667 CA 1.390 10 residues pruned to eliminate duplicates Z: 12 7.698 1.747 0.698 0.383 0.727 0.455 CB 1.219 12 residues pruned to eliminate duplicates Z: 34 40.199 2.227 0.684 0.594 0.970 0.667 CA 1.759 34 residues pruned to eliminate duplicates Z: 8 7.031 1.855 0.211 0.519 1.000 0.429 CB 1.161 8 residues pruned to eliminate duplicates Z: 10 3.913 1.527 0.489 0.265 0.889 0.333 CB 0.844 10 residues pruned to eliminate duplicates Z: 14 30.266 2.041 1.138 0.877 0.923 0.846 CA 1.514 14 residues pruned to eliminate duplicates Z: 14 24.366 2.065 0.838 0.890 1.000 0.385 CB 1.281 14 residues pruned to eliminate duplicates Z: 9 9.081 1.747 0.961 0.691 1.000 0.750 CB 0.787 Z: 64 55.502 2.267 0.866 0.574 0.905 0.571 CB 1.702 64 residues pruned to eliminate duplicates Z: 11 19.889 1.970 0.964 0.760 0.900 0.600 CB 1.433 Z: 21 26.348 2.039 0.933 0.598 0.900 0.700 CB 1.512 21 residues pruned to eliminate duplicates Z: 41 47.232 2.115 0.985 0.672 0.950 0.575 CB 1.599 41 residues pruned to eliminate duplicates Z: 58 59.174 2.303 0.823 0.635 0.965 0.772 CA 1.704 75 residues pruned to eliminate duplicates Z: 10 10.873 2.175 1.016 0.384 0.667 0.444 CB 1.403 10 residues pruned to eliminate duplicates Z: 16 19.474 2.108 0.738 0.608 0.867 0.667 CA 1.430 16 residues pruned to eliminate duplicates Z: 61 59.175 2.244 0.894 0.611 0.983 0.750 CB 1.646 61 residues pruned to eliminate duplicates Z: 6 2.407 1.431 0.913 0.298 0.800 0.600 CB 0.616 Z: 14 22.267 1.979 0.931 0.474 1.000 0.615 CA 1.659 14 residues pruned to eliminate duplicates Z: 17 33.555 2.067 1.094 0.909 1.000 0.812 CA 1.375 17 residues pruned to eliminate duplicates Z: 26 33.211 2.192 1.029 0.556 0.920 0.680 CB 1.536 26 residues pruned to eliminate duplicates Z: 50 62.777 2.385 0.846 0.626 1.000 0.694 CB 1.808 50 residues pruned to eliminate duplicates Z: 14 22.228 2.335 0.895 0.580 0.846 0.538 CB 1.525 Z: 16 27.967 2.088 0.743 0.897 1.000 0.800 CA 1.421 16 residues pruned to eliminate duplicates Z: 40 41.815 2.206 1.113 0.548 0.872 0.667 CA 1.573 40 residues pruned to eliminate duplicates Z: 50 51.752 2.227 0.929 0.610 0.939 0.694 CB 1.652 50 residues pruned to eliminate duplicates Z: 59 55.837 2.193 0.918 0.591 1.000 0.690 CB 1.598 73 residues pruned to eliminate duplicates Z: 8 2.835 1.466 0.370 0.339 0.714 0.286 N 0.890 Z: 22 22.181 2.135 0.909 0.595 0.810 0.238 CB 1.339 22 residues pruned to eliminate duplicates Z: 15 30.493 2.103 1.007 0.916 1.000 0.786 CB 1.364 15 residues pruned to eliminate duplicates Z: 6 2.103 1.271 0.718 0.200 0.600 0.200 CB 1.025 Z: 42 51.810 2.288 1.148 0.558 0.902 0.610 CB 1.725 40 residues pruned to eliminate duplicates Z: 17 18.856 2.142 0.903 0.441 0.875 0.688 CB 1.404 17 residues pruned to eliminate duplicates 6 1.785 1.363 -0.025 0.475 0.800 0.400 CB 0.771 ? Z: 16 26.226 2.009 0.705 0.798 1.000 0.600 CB 1.524 16 residues pruned to eliminate duplicates Z: 82 64.670 2.214 0.876 0.602 0.963 0.765 CB 1.630 82 residues pruned to eliminate duplicates Z: 39 34.735 2.170 0.681 0.569 0.947 0.632 CB 1.525 39 residues pruned to eliminate duplicates Z: 7 5.670 1.675 -0.002 0.626 0.833 0.500 C 1.475 6 1.856 1.545 0.195 0.284 0.600 0.400 CB 0.956 ? Z: 42 34.964 2.109 0.723 0.591 0.902 0.659 CB 1.527 42 residues pruned to eliminate duplicates Z: 50 48.069 2.199 0.763 0.600 1.000 0.714 CB 1.610 50 residues pruned to eliminate duplicates Z: 31 14.134 1.724 0.426 0.427 0.933 0.400 CB 1.214 31 residues pruned to eliminate duplicates Z: 33 35.964 2.158 0.748 0.614 0.969 0.750 CB 1.562 33 residues pruned to eliminate duplicates Z: 132 80.157 2.235 0.902 0.602 0.954 0.710 CB 1.566 78 residues pruned to eliminate duplicates Z: 51 47.865 2.177 0.724 0.609 0.980 0.800 CB 1.659 51 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 12.187 1.731 1.144 0.502 1.000 0.400 CB 1.466 6 residues pruned to eliminate duplicates Z: 12 10.239 2.032 0.716 0.356 0.818 0.273 CB 1.263 12 residues pruned to eliminate duplicates Z: 22 15.284 1.959 0.969 0.438 0.810 0.429 CB 1.139 22 residues pruned to eliminate duplicates Z: 7 13.173 2.285 1.246 0.274 0.833 0.500 CB 1.624 7 residues pruned to eliminate duplicates Z: 9 10.959 2.115 0.899 0.221 0.875 0.500 CB 1.528 9 residues pruned to eliminate duplicates Z: 15 12.678 1.881 1.137 0.248 0.786 0.571 CB 1.435 15 residues pruned to eliminate duplicates Z: 14 21.816 2.172 1.268 0.623 0.846 0.846 CA 1.293 Z: 6 2.921 1.436 1.019 0.356 0.800 0.400 CA 0.658 6 residues pruned to eliminate duplicates Z: 38 44.397 2.205 1.175 0.667 0.811 0.595 CB 1.608 26 residues pruned to eliminate duplicates Z: 6 6.680 1.870 1.212 0.293 0.800 0.600 CA 1.139 6 residues pruned to eliminate duplicates Z: 13 26.806 1.950 1.418 0.695 0.917 0.833 CB 1.498 13 residues pruned to eliminate duplicates Z: 26 42.995 2.250 1.094 0.702 0.920 0.560 CB 1.650 26 residues pruned to eliminate duplicates Z: 39 47.259 2.196 1.105 0.673 0.895 0.553 CB 1.580 39 residues pruned to eliminate duplicates Z: 15 29.388 2.214 1.045 0.762 0.929 0.571 CB 1.480 15 residues pruned to eliminate duplicates Z: 25 42.219 2.305 1.185 0.767 0.875 0.667 CB 1.543 25 residues pruned to eliminate duplicates Z: 38 38.533 2.120 0.998 0.682 0.919 0.595 CB 1.377 38 residues pruned to eliminate duplicates Z: 32 28.657 2.149 0.888 0.502 0.903 0.452 CB 1.401 32 residues pruned to eliminate duplicates Z: 15 27.608 2.093 1.024 0.739 1.000 0.500 CB 1.406 15 residues pruned to eliminate duplicates Z: 37 31.381 2.072 1.033 0.584 0.833 0.611 CB 1.375 37 residues pruned to eliminate duplicates Z: 27 45.214 2.246 1.200 0.731 0.923 0.577 CB 1.578 27 residues pruned to eliminate duplicates Z: 15 27.624 2.032 0.994 0.842 0.929 0.643 CB 1.463 15 residues pruned to eliminate duplicates Z: 75 62.406 2.189 1.039 0.588 0.946 0.689 CB 1.579 75 residues pruned to eliminate duplicates Z: 64 59.423 2.236 1.084 0.619 0.921 0.651 CB 1.560 64 residues pruned to eliminate duplicates Z: 34 28.549 2.177 0.863 0.517 0.879 0.485 CB 1.370 34 residues pruned to eliminate duplicates Z: 33 28.183 2.115 0.895 0.551 0.875 0.469 CB 1.352 33 residues pruned to eliminate duplicates Z: 34 36.337 2.236 0.913 0.563 0.909 0.545 CB 1.530 34 residues pruned to eliminate duplicates Z: 33 27.124 2.101 0.885 0.559 0.844 0.531 CB 1.354 33 residues pruned to eliminate duplicates Z: 31 28.293 2.125 0.802 0.588 0.867 0.567 CB 1.431 31 residues pruned to eliminate duplicates Z: 35 26.257 2.066 0.832 0.579 0.882 0.441 CB 1.249 35 residues pruned to eliminate duplicates Z: 19 17.313 1.999 0.802 0.427 0.833 0.444 CB 1.467 19 residues pruned to eliminate duplicates Z: 25 24.581 2.191 0.738 0.622 0.833 0.583 CB 1.409 25 residues pruned to eliminate duplicates Z: 78 56.421 2.206 0.834 0.592 0.948 0.688 CB 1.536 78 residues pruned to eliminate duplicates Z: 13 13.337 2.019 0.816 0.554 0.833 0.583 CB 1.196 13 residues pruned to eliminate duplicates Z: 71 62.860 2.244 1.037 0.602 0.943 0.629 CB 1.581 71 residues pruned to eliminate duplicates Z: 62 54.991 2.267 0.913 0.573 0.934 0.557 CB 1.619 62 residues pruned to eliminate duplicates Z: 148 84.472 2.221 0.933 0.595 0.925 0.660 CB 1.603 103 residues pruned to eliminate duplicates Z: 10 12.383 1.860 0.763 0.672 1.000 0.667 CA 1.074 10 residues pruned to eliminate duplicates Z: 57 70.115 2.274 1.174 0.657 1.000 0.732 CB 1.638 57 residues pruned to eliminate duplicates Z: 63 64.383 2.267 1.074 0.609 0.968 0.645 CB 1.621 63 residues pruned to eliminate duplicates Z: 65 61.645 2.241 1.091 0.603 0.938 0.703 CB 1.590 65 residues pruned to eliminate duplicates Z: 58 66.216 2.245 1.133 0.643 0.982 0.754 CB 1.631 58 residues pruned to eliminate duplicates Z: 43 49.517 2.184 1.064 0.644 0.929 0.690 CB 1.596 43 residues pruned to eliminate duplicates Z: 50 42.833 2.129 0.764 0.612 0.939 0.694 CB 1.560 50 residues pruned to eliminate duplicates Z: 64 63.603 2.258 1.033 0.613 0.968 0.746 CB 1.620 64 residues pruned to eliminate duplicates Z: 36 52.163 2.204 0.981 0.766 1.000 0.743 CB 1.595 36 residues pruned to eliminate duplicates Z: 51 46.218 2.157 0.859 0.563 0.960 0.700 CB 1.598 51 residues pruned to eliminate duplicates Z: 59 63.607 2.258 1.076 0.609 0.983 0.672 CB 1.635 59 residues pruned to eliminate duplicates Z: 78 61.794 2.197 0.992 0.562 0.948 0.649 CB 1.599 78 residues pruned to eliminate duplicates Z: 35 51.326 2.227 1.002 0.747 0.971 0.647 CB 1.632 35 residues pruned to eliminate duplicates Z: 64 63.603 2.252 1.048 0.597 0.952 0.667 CB 1.664 64 residues pruned to eliminate duplicates Z: 63 61.166 2.205 1.134 0.585 0.952 0.645 CB 1.598 63 residues pruned to eliminate duplicates Z: 64 66.166 2.283 1.079 0.607 0.968 0.794 CB 1.638 64 residues pruned to eliminate duplicates Z: 61 64.478 2.254 1.094 0.597 0.967 0.750 CB 1.663 61 residues pruned to eliminate duplicates Z: 60 63.836 2.272 1.044 0.615 0.966 0.712 CB 1.661 60 residues pruned to eliminate duplicates Z: 57 66.854 2.268 1.069 0.646 1.000 0.679 CB 1.662 57 residues pruned to eliminate duplicates Z: 66 59.201 2.261 0.976 0.574 0.954 0.677 CB 1.605 66 residues pruned to eliminate duplicates Z: 59 64.559 2.245 1.046 0.636 0.983 0.690 CB 1.653 59 residues pruned to eliminate duplicates Z: 65 63.318 2.251 1.090 0.604 0.969 0.797 CB 1.573 65 residues pruned to eliminate duplicates Z: 65 57.375 2.239 0.987 0.595 0.922 0.719 CB 1.597 65 residues pruned to eliminate duplicates Z: 63 61.842 2.214 1.109 0.606 0.952 0.726 CB 1.598 63 residues pruned to eliminate duplicates Z: 55 66.574 2.289 1.050 0.672 0.981 0.778 CB 1.678 55 residues pruned to eliminate duplicates Z: 65 62.519 2.259 1.026 0.600 0.969 0.734 CB 1.603 65 residues pruned to eliminate duplicates Z: 65 63.257 2.258 1.056 0.611 0.969 0.734 CB 1.583 65 residues pruned to eliminate duplicates Z: 64 57.227 2.210 1.017 0.594 0.921 0.698 CB 1.607 64 residues pruned to eliminate duplicates Z: 101 81.218 2.251 0.964 0.650 0.950 0.760 CB 1.682 101 residues pruned to eliminate duplicates Z: 64 57.639 2.260 1.027 0.583 0.905 0.778 CB 1.617 64 residues pruned to eliminate duplicates Z: 77 53.161 2.167 0.975 0.543 0.868 0.618 CB 1.573 77 residues pruned to eliminate duplicates Z: 64 56.797 2.260 0.861 0.585 0.921 0.651 CB 1.702 64 residues pruned to eliminate duplicates Z: 66 59.480 2.279 0.814 0.589 0.969 0.677 CB 1.690 66 residues pruned to eliminate duplicates Z: 63 57.663 2.274 0.890 0.606 0.919 0.758 CB 1.676 63 residues pruned to eliminate duplicates Z: 71 61.572 2.237 0.901 0.568 0.971 0.729 CB 1.669 71 residues pruned to eliminate duplicates Z: 63 59.431 2.291 0.846 0.599 0.968 0.710 CB 1.678 63 residues pruned to eliminate duplicates Z: 66 59.190 2.249 0.815 0.611 0.954 0.723 CB 1.697 66 residues pruned to eliminate duplicates Z: 46 52.316 2.194 0.944 0.645 0.978 0.733 CB 1.633 46 residues pruned to eliminate duplicates Z: 63 60.634 2.278 0.864 0.604 0.968 0.694 CB 1.697 63 residues pruned to eliminate duplicates Z: 66 58.801 2.294 0.884 0.586 0.923 0.692 CB 1.683 66 residues pruned to eliminate duplicates Z: 65 59.368 2.295 0.850 0.581 0.969 0.688 CB 1.669 65 residues pruned to eliminate duplicates Z: 67 62.237 2.275 0.982 0.560 0.970 0.636 CB 1.652 67 residues pruned to eliminate duplicates Z: 129 86.041 2.279 0.999 0.602 0.914 0.672 CB 1.657 104 residues pruned to eliminate duplicates Z: 17 27.402 2.128 0.807 0.808 1.000 0.812 CB 1.362 17 residues pruned to eliminate duplicates Z: 53 44.388 2.159 0.746 0.605 0.962 0.615 CB 1.537 53 residues pruned to eliminate duplicates Z: 63 61.220 2.283 0.927 0.600 0.952 0.661 CB 1.689 63 residues pruned to eliminate duplicates Z: 62 58.917 2.278 0.842 0.604 0.967 0.623 CB 1.684 62 residues pruned to eliminate duplicates Z: 61 60.759 2.270 0.939 0.605 0.967 0.617 CB 1.668 61 residues pruned to eliminate duplicates Z: 113 83.981 2.270 1.005 0.609 0.946 0.634 CB 1.660 113 residues pruned to eliminate duplicates Z: 69 58.518 2.244 0.982 0.578 0.912 0.647 CB 1.623 69 residues pruned to eliminate duplicates Z: 66 63.092 2.284 0.936 0.609 0.954 0.708 CB 1.673 66 residues pruned to eliminate duplicates Z: 46 47.207 2.159 0.933 0.661 0.956 0.644 CB 1.520 46 residues pruned to eliminate duplicates Z: 63 60.358 2.279 0.926 0.589 0.952 0.613 CB 1.686 63 residues pruned to eliminate duplicates Z: 62 59.311 2.277 0.882 0.601 0.967 0.689 CB 1.664 62 residues pruned to eliminate duplicates Z: 65 60.706 2.299 0.900 0.598 0.953 0.641 CB 1.660 65 residues pruned to eliminate duplicates Z: 68 59.912 2.258 0.901 0.582 0.940 0.627 CB 1.676 68 residues pruned to eliminate duplicates Z: 52 43.807 2.200 0.703 0.613 0.941 0.569 CB 1.563 52 residues pruned to eliminate duplicates Z: 49 49.158 2.213 0.882 0.628 0.958 0.604 CB 1.576 49 residues pruned to eliminate duplicates Z: 69 59.343 2.227 0.882 0.579 0.985 0.603 CB 1.615 69 residues pruned to eliminate duplicates Z: 62 57.043 2.270 0.842 0.600 0.967 0.623 CB 1.643 62 residues pruned to eliminate duplicates Z: 47 46.658 2.190 0.938 0.628 0.935 0.761 CB 1.538 47 residues pruned to eliminate duplicates Z: 52 44.595 2.191 0.731 0.592 0.961 0.471 CB 1.569 52 residues pruned to eliminate duplicates Z: 49 49.678 2.215 0.854 0.622 1.000 0.604 CB 1.557 49 residues pruned to eliminate duplicates Z: 61 59.988 2.270 0.899 0.608 0.967 0.650 CB 1.677 61 residues pruned to eliminate duplicates Z: 40 48.957 2.198 0.984 0.700 0.949 0.641 CB 1.578 40 residues pruned to eliminate duplicates Z: 67 62.105 2.267 0.961 0.592 0.955 0.667 CB 1.650 67 residues pruned to eliminate duplicates Z: 67 60.829 2.275 0.891 0.582 0.955 0.636 CB 1.685 67 residues pruned to eliminate duplicates Z: 131 87.381 2.254 1.021 0.587 0.954 0.638 CB 1.622 131 residues pruned to eliminate duplicates Z: 51 45.916 2.196 0.728 0.600 0.980 0.600 CB 1.587 51 residues pruned to eliminate duplicates Z: 63 57.745 2.282 0.904 0.583 0.935 0.694 CB 1.666 63 residues pruned to eliminate duplicates Z: 68 59.013 2.257 0.905 0.585 0.955 0.716 CB 1.619 68 residues pruned to eliminate duplicates Z: 67 62.481 2.275 0.882 0.587 0.985 0.682 CB 1.679 67 residues pruned to eliminate duplicates Z: 68 60.264 2.262 0.906 0.584 0.955 0.642 CB 1.648 68 residues pruned to eliminate duplicates Z: 64 60.449 2.276 0.954 0.601 0.952 0.683 CB 1.633 64 residues pruned to eliminate duplicates Z: 53 45.449 2.183 0.702 0.605 0.981 0.635 CB 1.565 53 residues pruned to eliminate duplicates Z: 60 64.072 2.280 0.968 0.627 0.983 0.644 CB 1.678 60 residues pruned to eliminate duplicates Z: 49 50.188 2.218 0.869 0.651 0.979 0.646 CB 1.550 49 residues pruned to eliminate duplicates Z: 50 48.591 2.192 0.804 0.612 0.980 0.612 CB 1.612 50 residues pruned to eliminate duplicates Z: 66 60.888 2.291 0.887 0.593 0.954 0.631 CB 1.675 66 residues pruned to eliminate duplicates Z: 63 59.286 2.256 0.895 0.615 0.952 0.677 CB 1.660 63 residues pruned to eliminate duplicates Z: 50 42.598 2.163 0.641 0.617 0.959 0.612 CB 1.599 50 residues pruned to eliminate duplicates Z: 67 60.461 2.273 0.936 0.593 0.924 0.591 CB 1.674 67 residues pruned to eliminate duplicates Z: 64 58.144 2.281 0.840 0.588 0.968 0.635 CB 1.658 64 residues pruned to eliminate duplicates Z: 22 23.454 2.167 0.814 0.428 0.952 0.571 CB 1.473 22 residues pruned to eliminate duplicates Z: 17 32.314 2.276 0.998 0.554 1.000 0.688 CB 1.686 17 residues pruned to eliminate duplicates Z: 61 62.549 2.281 0.885 0.639 0.983 0.667 CB 1.677 61 residues pruned to eliminate duplicates Z: 68 64.114 2.271 0.935 0.595 0.970 0.672 CB 1.678 68 residues pruned to eliminate duplicates Z: 65 56.855 2.266 0.926 0.590 0.922 0.625 CB 1.621 65 residues pruned to eliminate duplicates Z: 64 60.162 2.271 0.894 0.612 0.952 0.698 CB 1.663 64 residues pruned to eliminate duplicates Z: 68 62.858 2.266 0.919 0.598 0.985 0.672 CB 1.633 68 residues pruned to eliminate duplicates Z: 7 10.605 2.384 0.806 0.331 0.667 0.500 CB 1.815 7 residues pruned to eliminate duplicates Z: 67 56.715 2.237 0.845 0.609 0.939 0.682 CB 1.623 67 residues pruned to eliminate duplicates Z: 70 61.503 2.261 0.918 0.589 0.971 0.739 CB 1.616 70 residues pruned to eliminate duplicates Z: 69 58.577 2.280 0.906 0.570 0.941 0.706 CB 1.623 69 residues pruned to eliminate duplicates Z: 61 60.815 2.253 0.968 0.618 0.967 0.750 CB 1.638 61 residues pruned to eliminate duplicates Z: 41 49.288 2.229 0.910 0.676 0.950 0.775 CB 1.639 41 residues pruned to eliminate duplicates Z: 62 59.664 2.269 0.966 0.592 0.951 0.721 CB 1.650 62 residues pruned to eliminate duplicates Z: 65 63.428 2.279 0.922 0.618 0.969 0.766 CB 1.671 65 residues pruned to eliminate duplicates Z: 96 66.619 2.225 0.870 0.597 0.926 0.684 CB 1.617 96 residues pruned to eliminate duplicates Z: 62 54.111 2.232 0.851 0.615 0.934 0.721 CB 1.610 62 residues pruned to eliminate duplicates Z: 61 57.192 2.235 0.885 0.624 0.967 0.767 CB 1.613 61 residues pruned to eliminate duplicates Z: 58 60.177 2.289 0.911 0.641 0.965 0.789 CB 1.655 58 residues pruned to eliminate duplicates Z: 61 58.318 2.264 0.926 0.599 0.967 0.717 CB 1.626 61 residues pruned to eliminate duplicates Z: 7 5.044 1.653 1.106 0.369 0.833 0.667 CA 0.817 7 residues pruned to eliminate duplicates Z: 63 57.959 2.232 0.918 0.613 0.968 0.742 CB 1.597 63 residues pruned to eliminate duplicates Z: 64 53.861 2.231 0.912 0.596 0.905 0.810 CB 1.604 64 residues pruned to eliminate duplicates Z: 44 54.223 2.236 0.989 0.667 0.953 0.791 CB 1.670 44 residues pruned to eliminate duplicates Z: 56 61.067 2.266 0.977 0.673 0.982 0.800 CB 1.597 56 residues pruned to eliminate duplicates Z: 72 59.389 2.238 0.947 0.573 0.944 0.676 CB 1.598 72 residues pruned to eliminate duplicates Z: 65 58.600 2.201 0.974 0.600 0.953 0.703 CB 1.608 65 residues pruned to eliminate duplicates Z: 60 61.440 2.252 1.001 0.623 0.966 0.661 CB 1.636 60 residues pruned to eliminate duplicates Z: 67 62.582 2.247 0.966 0.595 0.970 0.682 CB 1.643 67 residues pruned to eliminate duplicates Z: 83 57.935 2.125 0.943 0.595 0.915 0.646 CB 1.548 83 residues pruned to eliminate duplicates Z: 65 58.063 2.220 0.991 0.596 0.938 0.688 CB 1.599 65 residues pruned to eliminate duplicates Z: 72 59.853 2.229 0.954 0.586 0.944 0.704 CB 1.591 72 residues pruned to eliminate duplicates Z: 64 58.890 2.296 0.931 0.601 0.921 0.730 CB 1.651 64 residues pruned to eliminate duplicates Z: 66 63.596 2.280 1.053 0.588 0.954 0.692 CB 1.624 66 residues pruned to eliminate duplicates Z: 71 62.179 2.235 1.031 0.580 0.943 0.743 CB 1.607 71 residues pruned to eliminate duplicates Z: 64 65.384 2.296 1.015 0.612 0.968 0.746 CB 1.654 64 residues pruned to eliminate duplicates Z: 61 61.242 2.264 0.937 0.621 0.983 0.683 CB 1.635 61 residues pruned to eliminate duplicates Z: 60 63.967 2.271 1.020 0.624 0.983 0.678 CB 1.642 60 residues pruned to eliminate duplicates Z: 69 56.363 2.197 0.846 0.614 0.941 0.735 CB 1.608 69 residues pruned to eliminate duplicates Z: 62 59.386 2.233 1.009 0.622 0.934 0.721 CB 1.617 62 residues pruned to eliminate duplicates Z: 71 61.784 2.247 1.004 0.570 0.943 0.643 CB 1.625 71 residues pruned to eliminate duplicates Z: 63 60.665 2.262 0.992 0.618 0.935 0.613 CB 1.635 63 residues pruned to eliminate duplicates Z: 66 62.444 2.222 1.066 0.605 0.954 0.754 CB 1.602 66 residues pruned to eliminate duplicates Z: 70 58.956 2.248 0.964 0.564 0.942 0.667 CB 1.604 70 residues pruned to eliminate duplicates Z: 61 60.669 2.230 0.980 0.613 0.983 0.717 CB 1.621 61 residues pruned to eliminate duplicates Z: 61 69.720 2.296 1.126 0.617 0.983 0.750 CB 1.679 61 residues pruned to eliminate duplicates Z: 68 68.576 2.249 1.109 0.605 0.970 0.776 CB 1.647 68 residues pruned to eliminate duplicates Z: 71 61.726 2.253 0.928 0.576 0.957 0.686 CB 1.648 71 residues pruned to eliminate duplicates Z: 99 72.534 2.193 1.066 0.577 0.939 0.612 CB 1.600 99 residues pruned to eliminate duplicates Z: 59 64.546 2.264 1.050 0.635 0.983 0.810 CB 1.637 59 residues pruned to eliminate duplicates Z: 57 59.142 2.261 0.955 0.631 0.982 0.714 CB 1.610 57 residues pruned to eliminate duplicates Z: 59 65.983 2.279 1.072 0.646 0.983 0.810 CB 1.629 59 residues pruned to eliminate duplicates Z: 61 62.860 2.257 1.030 0.615 0.983 0.650 CB 1.615 61 residues pruned to eliminate duplicates Z: 54 54.567 2.274 1.060 0.579 0.906 0.679 CB 1.637 54 residues pruned to eliminate duplicates Z: 82 63.289 2.204 0.996 0.608 0.914 0.556 CB 1.580 59 residues pruned to eliminate duplicates 6 1.430 1.552 0.118 0.343 0.600 0.600 CB 0.729 ? Z: 16 28.417 2.128 0.989 0.623 0.933 0.467 CB 1.654 16 residues pruned to eliminate duplicates Z: 27 37.550 2.125 1.060 0.653 0.923 0.538 CA 1.581 27 residues pruned to eliminate duplicates Z: 27 36.612 2.103 1.220 0.687 0.885 0.577 CB 1.465 27 residues pruned to eliminate duplicates Z: 31 28.577 2.056 0.763 0.589 0.833 0.500 CA 1.585 31 residues pruned to eliminate duplicates Z: 26 39.332 2.160 1.242 0.704 0.880 0.640 CB 1.533 26 residues pruned to eliminate duplicates Z: 31 37.662 2.133 0.996 0.652 0.900 0.533 CB 1.558 38 residues pruned to eliminate duplicates Z: 15 33.745 2.057 1.022 0.859 1.000 0.571 CA 1.596 15 residues pruned to eliminate duplicates Z: 19 34.343 2.244 1.096 0.682 0.889 0.611 CB 1.638 19 residues pruned to eliminate duplicates Z: 39 34.182 2.150 0.799 0.538 0.842 0.395 CB 1.641 30 residues pruned to eliminate duplicates Z: 15 39.191 2.093 1.145 0.906 1.000 0.857 CA 1.659 15 residues pruned to eliminate duplicates Z: 40 32.821 2.084 0.793 0.557 0.872 0.513 CB 1.526 41 residues pruned to eliminate duplicates Z: 15 35.097 2.070 1.253 0.773 1.000 0.714 CB 1.580 15 residues pruned to eliminate duplicates Z: 47 41.705 2.064 0.873 0.565 0.935 0.522 CB 1.597 47 residues pruned to eliminate duplicates Z: 36 42.476 2.168 0.981 0.676 0.886 0.657 CB 1.605 36 residues pruned to eliminate duplicates Z: 37 27.497 2.081 0.740 0.524 0.806 0.556 CA 1.534 37 residues pruned to eliminate duplicates Z: 106 70.076 2.208 0.974 0.597 0.914 0.705 CB 1.564 106 residues pruned to eliminate duplicates Z: 44 25.873 2.034 0.701 0.461 0.837 0.442 CB 1.417 44 residues pruned to eliminate duplicates Z: 18 11.834 1.922 0.403 0.445 0.824 0.353 CB 1.368 18 residues pruned to eliminate duplicates Z: 15 11.971 1.706 0.656 0.591 0.929 0.429 CB 1.118 15 residues pruned to eliminate duplicates Z: 14 13.736 1.821 0.717 0.696 0.769 0.385 CB 1.325 14 residues pruned to eliminate duplicates Z: 17 11.704 1.856 0.589 0.454 0.750 0.375 CB 1.387 17 residues pruned to eliminate duplicates Z: 39 37.749 2.080 0.832 0.645 0.895 0.711 CB 1.568 39 residues pruned to eliminate duplicates Z: 104 72.032 2.242 0.900 0.597 0.932 0.641 CB 1.629 104 residues pruned to eliminate duplicates Z: 15 7.113 1.879 0.288 0.335 0.643 0.429 CB 1.463 15 residues pruned to eliminate duplicates Z: 43 37.300 2.100 0.928 0.601 0.881 0.500 CB 1.465 43 residues pruned to eliminate duplicates Z: 69 61.988 2.264 0.957 0.565 0.956 0.750 CB 1.667 69 residues pruned to eliminate duplicates Z: 46 39.808 2.085 0.905 0.604 0.889 0.644 CB 1.523 46 residues pruned to eliminate duplicates Z: 13 7.287 1.835 0.531 0.223 0.667 0.333 CB 1.554 13 residues pruned to eliminate duplicates Z: 7 14.596 1.942 1.075 0.871 1.000 1.000 CB 1.079 7 residues pruned to eliminate duplicates Z: 7 7.353 1.560 1.324 0.522 0.833 0.333 CA 0.972 7 residues pruned to eliminate duplicates Z: 36 38.551 2.174 1.111 0.600 0.829 0.686 CB 1.558 36 residues pruned to eliminate duplicates Z: 31 56.036 2.299 1.405 0.671 0.967 0.567 CB 1.635 41 residues pruned to eliminate duplicates Z: 6 9.555 1.797 0.877 0.451 1.000 0.800 N 1.332 6 residues pruned to eliminate duplicates Z: 22 32.971 2.141 1.147 0.559 0.905 0.714 CA 1.633 22 residues pruned to eliminate duplicates Z: 32 45.492 2.215 1.292 0.675 0.871 0.548 CB 1.573 32 residues pruned to eliminate duplicates Z: 33 41.472 2.205 1.097 0.626 0.906 0.500 CB 1.554 33 residues pruned to eliminate duplicates Z: 79 60.026 2.262 0.930 0.580 0.923 0.603 CB 1.561 90 residues pruned to eliminate duplicates Z: 16 29.498 2.134 1.337 0.699 0.933 0.667 CB 1.365 16 residues pruned to eliminate duplicates Z: 43 45.482 2.165 1.068 0.592 0.929 0.595 CB 1.545 43 residues pruned to eliminate duplicates Z: 16 25.677 2.157 1.112 0.699 0.867 0.667 CB 1.400 16 residues pruned to eliminate duplicates Z: 33 37.882 2.169 1.119 0.602 0.906 0.688 CB 1.459 33 residues pruned to eliminate duplicates Z: 61 42.530 2.170 1.020 0.538 0.867 0.550 CB 1.392 61 residues pruned to eliminate duplicates Z: 33 34.956 2.214 1.293 0.503 0.812 0.656 CB 1.494 33 residues pruned to eliminate duplicates Z: 15 30.211 2.216 1.291 0.760 0.929 0.857 CB 1.359 15 residues pruned to eliminate duplicates Z: 38 36.539 2.223 1.109 0.568 0.838 0.514 CB 1.432 38 residues pruned to eliminate duplicates Z: 14 28.223 2.090 1.184 0.725 1.000 0.692 CB 1.399 14 residues pruned to eliminate duplicates Z: 31 35.036 2.160 0.979 0.581 0.900 0.567 CB 1.539 31 residues pruned to eliminate duplicates Z: 48 42.569 2.106 1.045 0.606 0.894 0.617 CB 1.458 48 residues pruned to eliminate duplicates Z: 77 58.673 2.247 0.883 0.561 0.921 0.566 CB 1.627 77 residues pruned to eliminate duplicates Z: 21 23.478 2.044 0.819 0.574 0.900 0.600 CB 1.461 21 residues pruned to eliminate duplicates Z: 28 22.421 2.038 0.838 0.594 0.778 0.481 CB 1.354 28 residues pruned to eliminate duplicates Z: 57 50.145 2.188 1.025 0.577 0.911 0.518 CB 1.542 57 residues pruned to eliminate duplicates Z: 10 19.785 2.213 0.823 0.713 0.889 0.667 CB 1.516 10 residues pruned to eliminate duplicates Z: 17 19.675 2.063 1.023 0.420 0.875 0.438 CB 1.464 17 residues pruned to eliminate duplicates Z: 62 59.263 2.283 0.874 0.588 0.984 0.721 CB 1.657 62 residues pruned to eliminate duplicates Z: 21 18.694 2.153 0.788 0.483 0.800 0.350 CB 1.381 21 residues pruned to eliminate duplicates Z: 12 10.594 2.046 0.760 0.320 0.818 0.273 CB 1.321 12 residues pruned to eliminate duplicates Z: 71 62.132 2.320 0.930 0.545 0.929 0.686 CA 1.708 71 residues pruned to eliminate duplicates Z: 11 6.534 1.851 0.731 0.299 0.800 0.300 CA 1.009 Z: 7 5.010 1.434 1.454 0.416 0.833 0.500 CA 0.762 7 residues pruned to eliminate duplicates Z: 11 14.435 2.124 0.809 0.376 0.800 0.500 CB 1.694 22 residues pruned to eliminate duplicates Z: 16 5.069 1.749 0.761 0.203 0.533 0.133 CB 1.133 16 residues pruned to eliminate duplicates Z: 7 6.796 1.910 1.135 0.321 0.500 0.333 CA 1.657 7 residues pruned to eliminate duplicates Z: 9 7.640 2.100 1.013 0.211 0.625 0.375 CA 1.438 9 residues pruned to eliminate duplicates Z: 64 60.695 2.359 0.902 0.570 0.905 0.635 CA 1.760 64 residues pruned to eliminate duplicates Z: 67 65.511 2.334 0.917 0.582 0.970 0.682 CA 1.718 67 residues pruned to eliminate duplicates Z: 65 67.777 2.367 0.990 0.600 0.938 0.656 CA 1.745 65 residues pruned to eliminate duplicates Z: 66 68.330 2.321 0.972 0.592 0.969 0.662 CA 1.751 66 residues pruned to eliminate duplicates Z: 63 67.195 2.354 0.936 0.600 0.968 0.726 CB 1.759 63 residues pruned to eliminate duplicates Z: 63 73.026 2.386 1.061 0.600 0.968 0.742 CB 1.772 63 residues pruned to eliminate duplicates Z: 68 65.414 2.312 0.994 0.567 0.955 0.657 CB 1.702 68 residues pruned to eliminate duplicates Z: 68 71.012 2.362 1.040 0.569 0.955 0.672 CB 1.763 68 residues pruned to eliminate duplicates Z: 60 73.843 2.405 1.094 0.621 0.949 0.763 CA 1.795 60 residues pruned to eliminate duplicates Z: 64 70.620 2.375 0.968 0.602 0.984 0.746 CA 1.754 64 residues pruned to eliminate duplicates Z: 62 61.704 2.358 0.929 0.582 0.934 0.689 CA 1.718 62 residues pruned to eliminate duplicates Z: 65 69.613 2.367 0.935 0.599 0.984 0.688 CA 1.756 65 residues pruned to eliminate duplicates Z: 62 72.386 2.376 1.091 0.591 0.967 0.721 CA 1.767 62 residues pruned to eliminate duplicates Z: 52 58.498 2.370 1.025 0.588 0.922 0.686 CA 1.702 52 residues pruned to eliminate duplicates Z: 64 73.169 2.379 1.066 0.594 0.968 0.730 CB 1.771 64 residues pruned to eliminate duplicates Z: 66 73.411 2.346 1.074 0.586 0.985 0.692 CA 1.750 66 residues pruned to eliminate duplicates Z: 47 60.923 2.350 1.018 0.650 0.957 0.674 CA 1.722 47 residues pruned to eliminate duplicates Z: 55 73.728 2.402 1.008 0.651 1.000 0.741 CA 1.808 55 residues pruned to eliminate duplicates Z: 65 69.252 2.375 0.972 0.576 0.969 0.656 CA 1.773 65 residues pruned to eliminate duplicates Z: 71 68.323 2.320 0.989 0.602 0.943 0.671 CB 1.703 71 residues pruned to eliminate duplicates Z: 65 69.794 2.360 1.106 0.589 0.953 0.703 CB 1.691 65 residues pruned to eliminate duplicates Z: 65 70.021 2.354 1.033 0.592 0.953 0.656 CA 1.758 65 residues pruned to eliminate duplicates Z: 61 67.733 2.337 0.987 0.599 0.983 0.700 CA 1.743 61 residues pruned to eliminate duplicates Z: 77 64.714 2.267 1.029 0.554 0.934 0.632 CB 1.639 77 residues pruned to eliminate duplicates Z: 77 64.466 2.255 1.073 0.541 0.947 0.632 CB 1.604 77 residues pruned to eliminate duplicates Z: 67 70.603 2.342 1.082 0.576 0.955 0.682 CB 1.735 67 residues pruned to eliminate duplicates Z: 64 68.405 2.353 1.072 0.577 0.952 0.667 CB 1.723 64 residues pruned to eliminate duplicates Z: 66 67.079 2.333 0.977 0.576 0.969 0.677 CB 1.729 66 residues pruned to eliminate duplicates Z: 67 67.876 2.296 1.012 0.580 0.985 0.652 CA 1.701 67 residues pruned to eliminate duplicates Z: 56 72.298 2.377 1.011 0.659 0.982 0.727 CB 1.792 56 residues pruned to eliminate duplicates Z: 65 67.106 2.320 1.071 0.572 0.969 0.594 CB 1.681 65 residues pruned to eliminate duplicates Z: 54 61.080 2.352 1.066 0.577 0.943 0.585 CA 1.699 54 residues pruned to eliminate duplicates Z: 64 73.562 2.369 1.087 0.596 0.984 0.667 CB 1.738 64 residues pruned to eliminate duplicates Z: 65 74.286 2.371 1.098 0.594 0.969 0.719 CB 1.760 65 residues pruned to eliminate duplicates Z: 67 69.208 2.336 1.021 0.572 0.985 0.652 CB 1.709 67 residues pruned to eliminate duplicates Z: 72 65.684 2.261 1.007 0.569 0.972 0.634 CB 1.653 72 residues pruned to eliminate duplicates Z: 65 72.908 2.389 1.027 0.579 0.984 0.672 CB 1.772 65 residues pruned to eliminate duplicates Z: 64 68.465 2.369 0.966 0.593 0.968 0.603 CA 1.751 64 residues pruned to eliminate duplicates Z: 67 67.099 2.351 0.973 0.576 0.970 0.682 CB 1.707 67 residues pruned to eliminate duplicates Z: 66 66.996 2.334 0.948 0.593 0.985 0.708 CB 1.698 66 residues pruned to eliminate duplicates Z: 68 63.605 2.330 0.978 0.554 0.940 0.672 CB 1.700 68 residues pruned to eliminate duplicates Z: 67 66.456 2.348 1.012 0.570 0.970 0.636 CB 1.668 67 residues pruned to eliminate duplicates Z: 65 70.326 2.366 0.971 0.596 0.969 0.734 CB 1.775 65 residues pruned to eliminate duplicates Z: 66 69.074 2.371 0.966 0.579 0.969 0.723 CB 1.758 66 residues pruned to eliminate duplicates Z: 66 68.609 2.367 0.960 0.590 0.969 0.677 CB 1.736 66 residues pruned to eliminate duplicates Z: 66 69.945 2.342 0.990 0.594 0.985 0.708 CB 1.729 66 residues pruned to eliminate duplicates Z: 66 70.858 2.350 1.050 0.588 0.969 0.662 CB 1.730 66 residues pruned to eliminate duplicates Z: 64 72.360 2.372 1.047 0.588 0.984 0.714 CB 1.754 64 residues pruned to eliminate duplicates Z: 66 71.273 2.350 1.012 0.596 0.985 0.738 CB 1.733 66 residues pruned to eliminate duplicates Z: 55 62.312 2.362 0.905 0.646 0.944 0.741 CB 1.741 55 residues pruned to eliminate duplicates Z: 67 67.146 2.344 0.969 0.568 0.970 0.621 CB 1.729 67 residues pruned to eliminate duplicates Z: 59 60.011 2.361 0.897 0.599 0.931 0.638 CB 1.719 59 residues pruned to eliminate duplicates Z: 70 65.822 2.329 0.966 0.583 0.928 0.623 CB 1.722 70 residues pruned to eliminate duplicates Z: 65 64.467 2.364 1.060 0.548 0.891 0.594 CA 1.774 65 residues pruned to eliminate duplicates Z: 71 58.784 2.277 1.014 0.520 0.900 0.643 CA 1.669 71 residues pruned to eliminate duplicates Z: 66 57.276 2.295 0.810 0.567 0.923 0.723 CB 1.736 68 residues pruned to eliminate duplicates Z: 6 2.168 1.471 0.336 0.362 0.800 0.400 C 0.715 6 residues pruned to eliminate duplicates Z: 68 62.065 2.263 0.814 0.606 0.970 0.687 CB 1.722 68 residues pruned to eliminate duplicates Z: 66 59.141 2.290 0.783 0.605 0.938 0.738 CB 1.732 66 residues pruned to eliminate duplicates Z: 97 60.172 2.208 0.860 0.527 0.906 0.656 CB 1.606 123 residues pruned to eliminate duplicates Z: 62 57.137 2.259 0.787 0.615 0.951 0.689 CB 1.710 62 residues pruned to eliminate duplicates Z: 61 63.825 2.281 0.838 0.641 0.967 0.800 CB 1.781 61 residues pruned to eliminate duplicates Z: 67 59.769 2.267 0.908 0.574 0.924 0.682 CB 1.713 67 residues pruned to eliminate duplicates Z: 46 50.001 2.259 0.843 0.627 0.933 0.800 CA 1.703 46 residues pruned to eliminate duplicates Z: 66 58.515 2.291 0.789 0.560 0.954 0.692 CB 1.752 66 residues pruned to eliminate duplicates Z: 67 59.328 2.274 0.864 0.587 0.924 0.727 CB 1.715 67 residues pruned to eliminate duplicates Z: 62 62.524 2.295 0.896 0.612 0.951 0.721 CB 1.739 62 residues pruned to eliminate duplicates Z: 66 65.191 2.289 0.920 0.598 0.969 0.708 CB 1.729 66 residues pruned to eliminate duplicates Z: 71 61.141 2.242 0.886 0.588 0.957 0.671 CB 1.659 71 residues pruned to eliminate duplicates Z: 29 41.455 2.276 0.843 0.689 0.929 0.893 CA 1.692 29 residues pruned to eliminate duplicates Z: 67 58.680 2.259 0.823 0.557 0.939 0.561 CB 1.766 67 residues pruned to eliminate duplicates Z: 66 63.372 2.302 0.922 0.592 0.938 0.692 CB 1.733 66 residues pruned to eliminate duplicates Z: 66 62.001 2.302 0.854 0.592 0.938 0.662 CB 1.757 66 residues pruned to eliminate duplicates Z: 80 59.003 2.187 0.853 0.600 0.911 0.684 CB 1.633 80 residues pruned to eliminate duplicates Z: 67 64.067 2.273 0.858 0.599 0.970 0.758 CB 1.753 67 residues pruned to eliminate duplicates Z: 61 62.507 2.308 0.909 0.616 0.950 0.700 CB 1.728 61 residues pruned to eliminate duplicates Z: 70 60.313 2.275 0.912 0.567 0.971 0.638 CB 1.611 70 residues pruned to eliminate duplicates Z: 65 62.068 2.259 0.937 0.585 0.953 0.688 CB 1.715 65 residues pruned to eliminate duplicates Z: 58 63.818 2.314 0.873 0.621 0.982 0.667 CB 1.771 58 residues pruned to eliminate duplicates Z: 69 62.377 2.252 0.925 0.592 0.941 0.662 CB 1.698 69 residues pruned to eliminate duplicates Z: 68 65.300 2.257 0.966 0.583 0.955 0.687 CB 1.739 68 residues pruned to eliminate duplicates Z: 66 59.233 2.289 0.922 0.576 0.892 0.631 CB 1.740 66 residues pruned to eliminate duplicates Z: 62 67.002 2.311 0.966 0.619 0.951 0.705 CB 1.775 62 residues pruned to eliminate duplicates Z: 66 60.930 2.283 0.878 0.567 0.938 0.677 CB 1.761 66 residues pruned to eliminate duplicates Z: 66 62.510 2.294 0.880 0.591 0.938 0.692 CB 1.755 66 residues pruned to eliminate duplicates Z: 70 63.146 2.289 0.896 0.596 0.957 0.725 CB 1.672 70 residues pruned to eliminate duplicates Z: 58 43.650 2.142 0.722 0.547 0.947 0.632 CB 1.580 69 residues pruned to eliminate duplicates Z: 51 45.723 2.186 0.743 0.590 0.920 0.540 CB 1.692 51 residues pruned to eliminate duplicates Z: 68 62.360 2.251 0.915 0.582 0.970 0.701 CB 1.684 68 residues pruned to eliminate duplicates Z: 66 69.850 2.306 0.973 0.608 0.969 0.708 CB 1.773 66 residues pruned to eliminate duplicates Z: 64 62.065 2.245 0.896 0.585 0.968 0.635 CB 1.750 64 residues pruned to eliminate duplicates Z: 71 60.043 2.263 0.835 0.579 0.957 0.671 CB 1.672 71 residues pruned to eliminate duplicates Z: 63 64.580 2.279 0.921 0.609 0.968 0.742 CB 1.745 63 residues pruned to eliminate duplicates Z: 66 66.912 2.284 0.918 0.606 0.985 0.662 CA 1.739 66 residues pruned to eliminate duplicates Z: 66 64.993 2.283 0.916 0.597 0.954 0.723 CB 1.760 66 residues pruned to eliminate duplicates Z: 67 66.256 2.259 0.898 0.608 0.985 0.667 CB 1.743 67 residues pruned to eliminate duplicates Z: 70 62.345 2.273 0.963 0.576 0.957 0.696 CB 1.634 70 residues pruned to eliminate duplicates Z: 67 66.546 2.279 0.943 0.601 0.955 0.697 CB 1.761 67 residues pruned to eliminate duplicates Z: 69 63.422 2.279 0.950 0.588 0.956 0.706 CB 1.664 69 residues pruned to eliminate duplicates Z: 66 59.348 2.294 0.803 0.581 0.938 0.708 CB 1.754 66 residues pruned to eliminate duplicates Z: 65 63.888 2.291 0.889 0.582 0.984 0.641 CB 1.732 65 residues pruned to eliminate duplicates Z: 66 59.951 2.290 0.794 0.595 0.954 0.723 CB 1.733 66 residues pruned to eliminate duplicates Z: 67 61.547 2.269 0.928 0.591 0.924 0.712 CB 1.717 67 residues pruned to eliminate duplicates Z: 103 69.528 2.215 0.935 0.587 0.922 0.608 CB 1.603 103 residues pruned to eliminate duplicates Z: 61 62.919 2.293 0.934 0.603 0.950 0.667 CB 1.750 61 residues pruned to eliminate duplicates Z: 66 65.026 2.276 0.889 0.590 0.985 0.723 CB 1.748 66 residues pruned to eliminate duplicates Z: 65 66.265 2.305 0.879 0.604 0.984 0.703 CB 1.759 65 residues pruned to eliminate duplicates Z: 66 64.202 2.273 0.920 0.580 0.969 0.692 CB 1.743 66 residues pruned to eliminate duplicates Z: 67 63.000 2.271 0.876 0.594 0.970 0.682 CB 1.716 67 residues pruned to eliminate duplicates Z: 69 63.768 2.241 0.926 0.587 0.971 0.735 CB 1.697 69 residues pruned to eliminate duplicates Z: 67 63.821 2.263 0.901 0.595 0.970 0.682 CB 1.719 67 residues pruned to eliminate duplicates Z: 67 59.933 2.267 0.859 0.579 0.939 0.667 CB 1.727 67 residues pruned to eliminate duplicates Z: 65 61.882 2.274 0.862 0.597 0.969 0.781 CB 1.719 65 residues pruned to eliminate duplicates Z: 71 61.051 2.254 0.919 0.576 0.971 0.686 CB 1.614 71 residues pruned to eliminate duplicates Z: 65 66.051 2.321 0.931 0.608 0.969 0.703 CB 1.716 65 residues pruned to eliminate duplicates Z: 59 40.374 2.115 0.666 0.543 0.948 0.586 CB 1.522 59 residues pruned to eliminate duplicates Z: 9 12.901 2.140 0.597 0.340 1.000 0.625 CA 1.589 Z: 6 6.231 1.858 0.762 0.301 0.800 0.400 CA 1.329 6 residues pruned to eliminate duplicates Z: 70 55.583 2.205 0.955 0.547 0.928 0.681 CB 1.598 79 residues pruned to eliminate duplicates Z: 59 66.422 2.271 1.126 0.635 0.966 0.707 CB 1.648 59 residues pruned to eliminate duplicates Z: 60 61.650 2.248 0.981 0.637 0.966 0.763 CB 1.641 60 residues pruned to eliminate duplicates Z: 66 62.002 2.276 1.002 0.601 0.938 0.769 CB 1.633 66 residues pruned to eliminate duplicates Z: 64 62.456 2.243 0.993 0.599 0.968 0.698 CB 1.654 64 residues pruned to eliminate duplicates Z: 71 63.134 2.269 0.981 0.583 0.943 0.757 CB 1.645 71 residues pruned to eliminate duplicates Z: 67 63.659 2.208 1.070 0.600 0.970 0.682 CB 1.607 67 residues pruned to eliminate duplicates Z: 31 23.917 2.097 0.952 0.394 0.767 0.433 CB 1.557 16 residues pruned to eliminate duplicates Z: 6 7.581 1.767 0.535 0.422 1.000 0.800 CB 1.356 6 residues pruned to eliminate duplicates Z: 14 28.456 2.140 1.061 0.651 0.923 0.769 CA 1.685 14 residues pruned to eliminate duplicates Z: 38 38.557 2.127 1.031 0.653 0.865 0.622 CB 1.471 38 residues pruned to eliminate duplicates Z: 26 45.952 2.238 1.210 0.709 0.960 0.640 CB 1.601 26 residues pruned to eliminate duplicates Z: 53 49.338 2.197 1.013 0.600 0.904 0.558 CB 1.557 49 residues pruned to eliminate duplicates Z: 6 4.041 1.613 0.850 0.317 0.800 0.800 CA 0.926 6 residues pruned to eliminate duplicates Z: 27 38.313 2.242 1.122 0.695 0.846 0.577 CB 1.562 27 residues pruned to eliminate duplicates Z: 26 39.516 2.201 1.206 0.707 0.920 0.640 CB 1.465 26 residues pruned to eliminate duplicates Z: 37 26.094 1.981 0.819 0.575 0.833 0.528 CB 1.347 37 residues pruned to eliminate duplicates Z: 27 44.242 2.248 1.183 0.712 0.885 0.615 CB 1.649 27 residues pruned to eliminate duplicates Z: 27 42.107 2.226 1.106 0.684 0.923 0.654 CB 1.612 27 residues pruned to eliminate duplicates Z: 19 30.229 2.215 0.983 0.647 0.944 0.500 CB 1.497 19 residues pruned to eliminate duplicates Z: 109 80.757 2.292 1.008 0.599 0.935 0.611 CB 1.643 109 residues pruned to eliminate duplicates Z: 81 58.106 2.202 0.786 0.606 0.925 0.700 CB 1.614 81 residues pruned to eliminate duplicates Z: 14 30.322 2.079 1.054 0.898 1.000 0.923 CB 1.408 14 residues pruned to eliminate duplicates Z: 39 29.550 2.048 0.720 0.563 0.895 0.500 CB 1.431 39 residues pruned to eliminate duplicates Z: 31 35.390 2.109 0.878 0.633 0.933 0.567 CB 1.542 31 residues pruned to eliminate duplicates Z: 27 40.111 2.187 1.324 0.677 0.885 0.615 CB 1.488 27 residues pruned to eliminate duplicates Z: 42 40.329 2.085 1.004 0.668 0.878 0.585 CB 1.470 42 residues pruned to eliminate duplicates Z: 39 33.394 2.094 0.798 0.671 0.921 0.579 CB 1.334 39 residues pruned to eliminate duplicates Z: 35 39.949 2.140 1.139 0.731 0.912 0.500 CB 1.333 35 residues pruned to eliminate duplicates Z: 63 50.186 2.188 0.702 0.589 0.952 0.629 CA 1.651 63 residues pruned to eliminate duplicates Z: 10 17.345 1.960 0.773 0.786 0.889 0.556 CB 1.454 Z: 23 26.318 1.967 0.875 0.767 0.909 0.364 CB 1.321 33 residues pruned to eliminate duplicates Z: 16 10.643 1.719 0.548 0.582 0.800 0.667 CB 1.193 Z: 11 16.102 1.831 0.625 0.854 1.000 0.400 CB 1.264 11 residues pruned to eliminate duplicates Z: 11 15.239 1.912 0.878 0.822 0.900 0.600 CB 1.128 11 residues pruned to eliminate duplicates Z: 27 35.059 2.175 0.988 0.740 0.885 0.577 CB 1.450 43 residues pruned to eliminate duplicates Z: 35 36.166 2.110 0.946 0.731 0.912 0.647 CB 1.345 35 residues pruned to eliminate duplicates Z: 39 44.884 2.163 1.185 0.620 0.868 0.500 CA 1.584 39 residues pruned to eliminate duplicates Z: 13 27.327 2.126 1.360 0.648 0.917 0.750 CB 1.494 13 residues pruned to eliminate duplicates Z: 39 49.519 2.167 1.152 0.668 0.921 0.605 CB 1.601 39 residues pruned to eliminate duplicates Z: 15 24.154 2.073 1.232 0.570 0.857 0.714 CA 1.521 15 residues pruned to eliminate duplicates Z: 16 21.048 2.265 0.860 0.549 0.800 0.600 CA 1.538 16 residues pruned to eliminate duplicates Z: 36 44.542 2.210 0.991 0.670 0.914 0.543 CB 1.600 36 residues pruned to eliminate duplicates Z: 28 40.936 2.232 1.236 0.633 0.852 0.593 CB 1.636 28 residues pruned to eliminate duplicates Z: 36 46.180 2.210 1.154 0.685 0.914 0.571 CB 1.513 36 residues pruned to eliminate duplicates Z: 38 40.193 2.170 1.064 0.643 0.838 0.568 CB 1.541 38 residues pruned to eliminate duplicates Z: 26 43.764 2.222 1.195 0.754 0.920 0.560 CB 1.556 26 residues pruned to eliminate duplicates Z: 36 43.486 2.222 1.036 0.666 0.914 0.486 CB 1.524 36 residues pruned to eliminate duplicates Z: 25 53.214 2.325 1.327 0.733 0.958 0.625 CB 1.699 25 residues pruned to eliminate duplicates Z: 43 45.405 2.202 1.157 0.614 0.881 0.619 CB 1.503 43 residues pruned to eliminate duplicates Z: 37 45.512 2.200 1.106 0.650 0.917 0.611 CB 1.553 37 residues pruned to eliminate duplicates Z: 36 45.941 2.218 1.064 0.675 0.914 0.600 CB 1.579 36 residues pruned to eliminate duplicates Z: 38 46.560 2.193 1.141 0.663 0.892 0.622 CB 1.572 38 residues pruned to eliminate duplicates Z: 26 47.354 2.244 1.194 0.711 0.960 0.680 CB 1.654 26 residues pruned to eliminate duplicates Z: 44 43.091 2.137 0.910 0.651 0.884 0.605 CB 1.583 44 residues pruned to eliminate duplicates Z: 28 36.046 2.232 0.964 0.651 0.889 0.630 CB 1.547 28 residues pruned to eliminate duplicates Z: 37 36.894 2.070 0.984 0.648 0.833 0.722 CB 1.566 37 residues pruned to eliminate duplicates Z: 37 38.429 2.133 1.005 0.632 0.889 0.556 CB 1.488 37 residues pruned to eliminate duplicates Z: 34 44.905 2.196 1.100 0.705 0.909 0.667 CB 1.547 34 residues pruned to eliminate duplicates Z: 33 35.543 2.156 1.023 0.585 0.844 0.500 CB 1.573 33 residues pruned to eliminate duplicates Z: 86 63.809 2.213 0.858 0.618 0.953 0.612 CB 1.580 86 residues pruned to eliminate duplicates Z: 11 13.194 1.906 0.759 0.684 0.900 0.700 CB 1.168 11 residues pruned to eliminate duplicates Z: 10 14.661 1.993 0.897 0.683 0.889 0.556 CB 1.230 10 residues pruned to eliminate duplicates Z: 14 10.908 1.762 0.700 0.503 0.769 0.538 CB 1.309 14 residues pruned to eliminate duplicates Z: 13 14.156 1.853 0.997 0.674 0.833 0.417 CB 1.128 13 residues pruned to eliminate duplicates Z: 12 20.031 1.907 0.971 0.625 1.000 0.545 CB 1.428 12 residues pruned to eliminate duplicates Z: 36 45.305 2.177 1.116 0.699 0.943 0.571 CB 1.470 36 residues pruned to eliminate duplicates Z: 13 14.373 1.887 0.619 0.603 1.000 0.667 CB 1.231 13 residues pruned to eliminate duplicates 426 residues left after pruning, divided into chains as follows: A: 39 B: 81 C: 39 D: 6 E: 7 F: 16 G: 43 H: 18 I: 58 J: 119 CC for partial structure against native data = 34.44 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.443, Connect. = 0.713 for dens.mod. cycle 1 = 0.300, Contrast = 0.520, Connect. = 0.748 for dens.mod. cycle 2 = 0.300, Contrast = 0.611, Connect. = 0.780 for dens.mod. cycle 3 = 0.300, Contrast = 0.618, Connect. = 0.785 for dens.mod. cycle 4 = 0.300, Contrast = 0.628, Connect. = 0.789 for dens.mod. cycle 5 = 0.300, Contrast = 0.630, Connect. = 0.791 for dens.mod. cycle 6 = 0.300, Contrast = 0.634, Connect. = 0.793 for dens.mod. cycle 7 = 0.300, Contrast = 0.635, Connect. = 0.794 for dens.mod. cycle 8 = 0.300, Contrast = 0.636, Connect. = 0.795 for dens.mod. cycle 9 = 0.300, Contrast = 0.636, Connect. = 0.796 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4301 peaks > 0.5 sigma used to seed fragment search Space for about 746 unique residues taking solvent into account 861 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 31 35.420 2.212 0.933 0.619 0.833 0.433 CB 1.621 B: 52 42.294 2.100 0.771 0.585 0.961 0.647 CB 1.527 C: 67 59.948 2.262 0.834 0.582 0.970 0.712 CB 1.696 D: 64 64.879 2.327 0.978 0.597 0.952 0.667 CB 1.699 E: 66 61.065 2.292 1.037 0.566 0.923 0.662 CB 1.648 66 residues pruned to eliminate duplicates F: 16 22.229 2.045 0.526 0.828 0.933 0.733 CA 1.483 G: 65 64.279 2.302 0.900 0.607 0.984 0.719 CB 1.685 52 residues pruned to eliminate duplicates H: 18 33.390 2.233 0.860 0.575 1.000 0.765 CA 1.814 17 residues pruned to eliminate duplicates I: 17 23.928 2.323 0.581 0.684 0.875 0.500 CB 1.571 17 residues pruned to eliminate duplicates J: 58 52.782 2.245 0.967 0.637 0.895 0.632 CB 1.556 31 residues pruned to eliminate duplicates K: 69 69.373 2.329 0.982 0.592 0.985 0.691 CB 1.694 16 residues pruned to eliminate duplicates L: 15 27.934 1.990 0.828 0.878 1.000 0.857 CA 1.490 M: 67 60.082 2.278 0.903 0.592 0.939 0.697 CB 1.664 67 residues pruned to eliminate duplicates N: 65 64.601 2.314 0.889 0.600 0.984 0.641 CB 1.706 67 residues pruned to eliminate duplicates O: 63 52.123 2.250 0.683 0.594 0.935 0.726 CB 1.708 63 residues pruned to eliminate duplicates P: 96 65.159 2.156 0.929 0.659 0.905 0.684 CB 1.532 15 residues pruned to eliminate duplicates Q: 15 29.312 2.217 0.723 0.740 1.000 0.571 CA 1.654 15 residues pruned to eliminate duplicates R: 16 19.668 2.050 0.604 0.847 0.800 0.667 CA 1.432 16 residues pruned to eliminate duplicates S: 57 72.434 2.341 1.075 0.650 1.000 0.714 CB 1.733 64 residues pruned to eliminate duplicates T: 15 27.110 2.144 0.630 0.916 0.929 0.714 CA 1.576 15 residues pruned to eliminate duplicates U: 60 64.770 2.301 0.956 0.604 0.983 0.746 CB 1.727 60 residues pruned to eliminate duplicates V: 62 58.947 2.256 0.866 0.604 0.984 0.639 CB 1.651 60 residues pruned to eliminate duplicates W: 14 33.756 2.144 1.075 0.824 1.000 0.615 CA 1.590 X: 67 54.526 2.257 0.709 0.565 0.939 0.621 CB 1.739 67 residues pruned to eliminate duplicates Y: 14 35.973 2.127 1.253 0.850 1.000 0.692 CA 1.543 14 residues pruned to eliminate duplicates Z: 16 19.849 2.033 0.277 0.905 1.000 0.933 CA 1.404 16 residues pruned to eliminate duplicates Z: 66 59.329 2.287 0.867 0.592 0.938 0.692 CB 1.682 66 residues pruned to eliminate duplicates Z: 12 33.174 2.047 1.567 0.724 1.000 0.636 C 1.555 12 residues pruned to eliminate duplicates Z: 123 88.898 2.319 0.922 0.583 0.959 0.689 CB 1.737 130 residues pruned to eliminate duplicates Z: 70 55.464 2.255 0.708 0.595 0.971 0.739 CB 1.631 70 residues pruned to eliminate duplicates Z: 16 22.377 1.927 1.222 0.562 0.867 0.667 CB 1.466 16 residues pruned to eliminate duplicates Z: 62 67.785 2.371 0.924 0.585 0.984 0.672 CB 1.783 62 residues pruned to eliminate duplicates Z: 33 45.834 2.240 1.138 0.645 0.906 0.594 CB 1.631 33 residues pruned to eliminate duplicates Z: 63 59.346 2.281 0.855 0.601 0.968 0.710 CB 1.672 63 residues pruned to eliminate duplicates Z: 15 30.891 2.042 0.998 0.878 0.929 0.786 CB 1.582 15 residues pruned to eliminate duplicates Z: 86 78.042 2.327 1.093 0.609 0.918 0.706 CB 1.708 144 residues pruned to eliminate duplicates Z: 62 56.676 2.242 0.828 0.620 0.967 0.721 CB 1.635 62 residues pruned to eliminate duplicates Z: 71 55.457 2.221 0.917 0.564 0.929 0.643 CB 1.575 71 residues pruned to eliminate duplicates Z: 16 19.710 2.174 0.264 0.774 0.933 0.667 CB 1.557 16 residues pruned to eliminate duplicates Z: 54 72.237 2.394 0.959 0.673 1.000 0.717 CB 1.802 54 residues pruned to eliminate duplicates Z: 16 25.148 2.298 0.626 0.741 0.867 0.600 CA 1.617 16 residues pruned to eliminate duplicates Z: 66 66.386 2.298 0.979 0.601 0.985 0.708 CB 1.670 67 residues pruned to eliminate duplicates Z: 65 64.117 2.359 0.879 0.594 0.953 0.672 CB 1.734 65 residues pruned to eliminate duplicates Z: 13 33.773 2.190 1.202 0.880 0.917 0.833 CA 1.599 14 residues pruned to eliminate duplicates Z: 15 35.760 2.137 1.091 0.891 1.000 0.857 CB 1.537 Z: 42 29.480 2.018 0.850 0.627 0.854 0.634 CB 1.281 Z: 69 67.203 2.259 1.079 0.596 0.971 0.735 CB 1.632 58 residues pruned to eliminate duplicates Z: 17 28.081 2.305 0.635 0.746 0.938 0.688 CB 1.594 17 residues pruned to eliminate duplicates Z: 14 33.957 2.138 1.041 0.888 1.000 0.846 CA 1.555 14 residues pruned to eliminate duplicates Z: 15 34.236 2.210 1.001 0.831 0.929 0.643 CB 1.674 14 residues pruned to eliminate duplicates Z: 63 64.356 2.326 0.955 0.582 0.952 0.742 CA 1.746 63 residues pruned to eliminate duplicates Z: 64 53.649 2.197 0.743 0.595 0.937 0.651 CB 1.721 64 residues pruned to eliminate duplicates Z: 16 32.574 2.349 0.830 0.802 1.000 0.600 CA 1.503 16 residues pruned to eliminate duplicates Z: 22 37.386 2.115 0.933 0.847 0.952 0.810 CB 1.555 15 residues pruned to eliminate duplicates Z: 65 61.554 2.278 0.983 0.577 0.953 0.734 CB 1.659 65 residues pruned to eliminate duplicates Z: 17 26.157 2.204 0.621 0.756 0.938 0.500 CA 1.555 17 residues pruned to eliminate duplicates Z: 59 65.247 2.309 1.025 0.634 0.966 0.707 CB 1.674 59 residues pruned to eliminate duplicates Z: 118 82.653 2.297 0.882 0.609 0.932 0.624 CB 1.711 118 residues pruned to eliminate duplicates Z: 64 59.120 2.281 0.859 0.600 0.968 0.698 CB 1.650 64 residues pruned to eliminate duplicates Z: 15 25.127 2.156 0.414 0.929 1.000 0.857 CA 1.542 15 residues pruned to eliminate duplicates Z: 17 18.661 2.126 0.285 0.830 0.812 0.750 CA 1.581 17 residues pruned to eliminate duplicates Z: 15 34.833 2.075 1.029 0.902 1.000 0.929 CA 1.577 15 residues pruned to eliminate duplicates Z: 16 26.698 2.358 0.435 0.767 0.933 0.533 CB 1.722 16 residues pruned to eliminate duplicates Z: 10 8.813 1.796 0.452 0.635 0.667 0.556 CA 1.488 10 residues pruned to eliminate duplicates Z: 16 23.027 2.115 0.417 0.902 0.933 0.867 CA 1.515 16 residues pruned to eliminate duplicates Z: 62 61.016 2.267 0.905 0.621 0.951 0.705 CB 1.697 62 residues pruned to eliminate duplicates Z: 12 25.203 1.942 1.464 0.625 0.909 0.818 C 1.553 12 residues pruned to eliminate duplicates Z: 151 82.830 2.249 0.887 0.589 0.927 0.660 CB 1.580 146 residues pruned to eliminate duplicates Z: 13 18.675 1.944 1.039 0.588 0.833 0.750 CA 1.501 13 residues pruned to eliminate duplicates Z: 14 32.641 2.144 0.941 0.882 1.000 0.923 CA 1.574 14 residues pruned to eliminate duplicates Z: 64 50.387 2.203 0.900 0.595 0.905 0.762 CB 1.531 64 residues pruned to eliminate duplicates Z: 15 25.942 2.210 0.639 0.819 0.929 0.429 CA 1.564 15 residues pruned to eliminate duplicates Z: 58 66.717 2.307 1.002 0.640 0.982 0.667 CB 1.707 59 residues pruned to eliminate duplicates Z: 42 44.857 2.204 0.825 0.675 0.927 0.780 CB 1.599 42 residues pruned to eliminate duplicates Z: 9 11.780 1.777 0.711 0.652 0.875 0.625 N 1.359 9 residues pruned to eliminate duplicates Z: 69 61.198 2.245 0.929 0.566 0.941 0.662 CA 1.709 69 residues pruned to eliminate duplicates Z: 17 26.383 1.913 0.778 0.852 0.938 0.875 CA 1.531 17 residues pruned to eliminate duplicates Z: 51 45.488 2.171 0.813 0.632 0.960 0.680 CB 1.504 51 residues pruned to eliminate duplicates Z: 15 37.770 2.115 1.158 0.904 1.000 0.571 CA 1.576 16 residues pruned to eliminate duplicates Z: 61 63.262 2.288 1.012 0.606 0.950 0.617 CB 1.688 61 residues pruned to eliminate duplicates Z: 38 40.940 2.185 0.809 0.650 0.946 0.865 CB 1.565 38 residues pruned to eliminate duplicates Z: 15 33.643 2.149 0.830 0.939 1.000 0.857 CA 1.589 15 residues pruned to eliminate duplicates Z: 119 89.838 2.320 0.966 0.639 0.958 0.746 CB 1.662 120 residues pruned to eliminate duplicates Z: 18 19.290 1.973 0.373 0.771 0.941 0.588 CA 1.444 18 residues pruned to eliminate duplicates Z: 13 18.771 2.278 0.323 0.761 0.833 0.500 CA 1.711 13 residues pruned to eliminate duplicates Z: 26 40.542 2.184 1.395 0.717 0.880 0.680 CB 1.447 27 residues pruned to eliminate duplicates Z: 18 18.133 2.001 0.222 0.762 0.941 0.647 CB 1.515 18 residues pruned to eliminate duplicates Z: 55 58.059 2.235 0.909 0.667 1.000 0.796 CB 1.587 55 residues pruned to eliminate duplicates Z: 16 31.428 2.223 0.825 0.915 1.000 0.733 CA 1.414 16 residues pruned to eliminate duplicates Z: 16 23.325 2.158 0.411 0.830 0.933 0.600 CA 1.593 16 residues pruned to eliminate duplicates Z: 15 26.579 2.109 0.687 0.908 0.929 0.857 CA 1.527 15 residues pruned to eliminate duplicates Z: 24 32.323 2.010 0.990 0.843 1.000 0.696 CB 1.255 24 residues pruned to eliminate duplicates Z: 16 20.306 2.094 0.187 0.899 1.000 0.733 CA 1.507 16 residues pruned to eliminate duplicates Z: 10 15.340 1.872 0.378 0.819 1.000 0.556 CA 1.503 10 residues pruned to eliminate duplicates Z: 15 26.333 2.137 0.553 0.922 0.929 0.786 CA 1.606 15 residues pruned to eliminate duplicates Z: 61 58.539 2.267 0.844 0.601 0.967 0.683 CB 1.699 61 residues pruned to eliminate duplicates Z: 32 52.874 2.280 1.208 0.680 0.968 0.677 CB 1.651 15 residues pruned to eliminate duplicates Z: 15 32.631 2.254 0.878 0.914 0.929 0.786 CA 1.569 15 residues pruned to eliminate duplicates Z: 12 21.329 2.150 0.430 0.857 0.909 0.636 CA 1.694 12 residues pruned to eliminate duplicates Z: 59 63.035 2.328 0.938 0.620 0.948 0.759 CB 1.727 59 residues pruned to eliminate duplicates Z: 9 20.824 2.158 0.493 0.876 1.000 0.500 CA 1.661 9 residues pruned to eliminate duplicates Z: 14 26.343 2.115 0.821 0.845 1.000 0.769 CA 1.411 14 residues pruned to eliminate duplicates Z: 17 24.338 2.148 0.536 0.751 0.938 0.625 CA 1.571 17 residues pruned to eliminate duplicates Z: 35 31.720 1.988 0.930 0.690 0.941 0.706 CB 1.266 35 residues pruned to eliminate duplicates Z: 68 55.348 2.248 0.811 0.569 0.955 0.657 CB 1.627 68 residues pruned to eliminate duplicates Z: 11 19.342 2.033 0.823 0.766 0.900 0.600 CB 1.448 Z: 13 23.503 2.069 0.666 0.820 0.917 0.500 CA 1.627 13 residues pruned to eliminate duplicates Z: 14 22.622 1.895 0.771 0.894 1.000 1.000 CB 1.341 14 residues pruned to eliminate duplicates Z: 15 23.814 2.100 0.411 0.924 1.000 0.857 CB 1.509 15 residues pruned to eliminate duplicates Z: 62 58.004 2.265 0.812 0.602 0.934 0.705 CB 1.758 63 residues pruned to eliminate duplicates Z: 66 67.137 2.328 1.010 0.586 0.954 0.662 CA 1.718 66 residues pruned to eliminate duplicates Z: 65 62.045 2.307 0.923 0.605 0.953 0.734 CB 1.660 65 residues pruned to eliminate duplicates Z: 126 88.690 2.319 0.925 0.617 0.952 0.768 CB 1.671 126 residues pruned to eliminate duplicates Z: 15 27.024 2.404 0.296 0.843 1.000 0.714 CA 1.726 15 residues pruned to eliminate duplicates Z: 12 24.420 2.179 0.825 0.851 0.818 0.636 CA 1.674 12 residues pruned to eliminate duplicates Z: 60 64.911 2.342 0.934 0.610 0.966 0.678 CA 1.740 60 residues pruned to eliminate duplicates Z: 61 58.041 2.254 0.906 0.602 0.950 0.717 CB 1.666 61 residues pruned to eliminate duplicates Z: 14 31.062 2.198 0.763 0.931 1.000 0.923 CB 1.553 14 residues pruned to eliminate duplicates Z: 14 30.486 2.198 0.964 0.877 1.000 0.846 CB 1.422 14 residues pruned to eliminate duplicates Z: 65 58.125 2.289 0.742 0.595 0.969 0.703 CB 1.718 65 residues pruned to eliminate duplicates Z: 13 34.014 2.212 1.007 0.902 1.000 1.000 CA 1.578 13 residues pruned to eliminate duplicates Z: 36 41.028 2.110 1.105 0.675 0.829 0.600 CB 1.604 36 residues pruned to eliminate duplicates Z: 14 29.696 2.096 1.017 0.852 1.000 0.846 CA 1.440 14 residues pruned to eliminate duplicates Z: 15 20.733 2.018 1.154 0.600 0.929 0.714 CB 1.248 15 residues pruned to eliminate duplicates Z: 124 89.822 2.323 0.953 0.592 0.935 0.667 CB 1.748 124 residues pruned to eliminate duplicates Z: 15 29.458 2.151 0.620 0.921 1.000 0.929 CA 1.590 15 residues pruned to eliminate duplicates Z: 67 59.146 2.265 0.915 0.600 0.955 0.636 CB 1.598 67 residues pruned to eliminate duplicates Z: 65 57.114 2.252 0.831 0.586 0.953 0.703 CB 1.672 65 residues pruned to eliminate duplicates Z: 58 69.042 2.373 0.987 0.623 0.982 0.667 CB 1.758 58 residues pruned to eliminate duplicates Z: 10 19.212 2.106 1.165 0.649 0.889 0.667 CA 1.375 10 residues pruned to eliminate duplicates Z: 14 29.766 2.148 0.989 0.827 1.000 0.615 CB 1.456 14 residues pruned to eliminate duplicates Z: 66 61.549 2.262 0.796 0.581 0.985 0.723 CB 1.766 66 residues pruned to eliminate duplicates Z: 17 20.546 2.108 0.318 0.758 0.875 0.500 CA 1.678 17 residues pruned to eliminate duplicates Z: 37 51.450 2.310 1.199 0.612 0.944 0.750 CA 1.607 37 residues pruned to eliminate duplicates Z: 65 64.507 2.296 0.939 0.591 0.953 0.719 CB 1.742 65 residues pruned to eliminate duplicates Z: 124 88.390 2.306 0.975 0.610 0.951 0.715 CB 1.657 124 residues pruned to eliminate duplicates Z: 15 27.931 2.266 0.700 0.793 0.857 0.571 CA 1.749 15 residues pruned to eliminate duplicates Z: 12 15.805 1.869 0.767 0.741 0.909 0.545 CB 1.279 11 residues pruned to eliminate duplicates Z: 14 28.131 2.177 0.951 0.886 0.923 0.769 CB 1.435 14 residues pruned to eliminate duplicates Z: 14 28.191 2.190 0.536 0.908 1.000 1.000 CA 1.651 14 residues pruned to eliminate duplicates Z: 66 67.012 2.328 0.934 0.584 0.985 0.708 CA 1.730 66 residues pruned to eliminate duplicates Z: 15 32.105 2.088 0.975 0.886 1.000 0.857 CB 1.502 15 residues pruned to eliminate duplicates Z: 16 19.607 2.031 0.905 0.734 0.867 0.400 CB 1.223 16 residues pruned to eliminate duplicates Z: 65 61.440 2.283 0.857 0.574 0.984 0.672 CA 1.714 65 residues pruned to eliminate duplicates Z: 67 55.782 2.247 0.872 0.580 0.939 0.636 CB 1.609 67 residues pruned to eliminate duplicates Z: 12 24.205 2.009 1.224 0.662 1.000 0.818 CA 1.406 Z: 58 65.134 2.314 0.970 0.637 0.982 0.719 CB 1.695 58 residues pruned to eliminate duplicates Z: 17 22.262 2.149 0.396 0.884 0.938 0.938 CA 1.430 17 residues pruned to eliminate duplicates Z: 17 28.479 2.111 1.174 0.612 0.875 0.562 C 1.595 17 residues pruned to eliminate duplicates Z: 117 91.733 2.315 1.013 0.618 0.966 0.707 CB 1.694 117 residues pruned to eliminate duplicates Z: 21 34.710 2.147 0.918 0.838 0.900 0.500 CB 1.566 21 residues pruned to eliminate duplicates Z: 37 39.251 2.060 1.099 0.683 0.833 0.639 CA 1.535 37 residues pruned to eliminate duplicates Z: 66 56.784 2.238 0.818 0.575 0.923 0.646 CB 1.745 66 residues pruned to eliminate duplicates Z: 58 55.071 2.228 0.895 0.637 0.965 0.702 CB 1.575 58 residues pruned to eliminate duplicates Z: 19 28.429 2.117 1.029 0.542 0.889 0.722 CB 1.684 19 residues pruned to eliminate duplicates Z: 15 34.099 2.023 1.071 0.901 1.000 0.571 CB 1.553 15 residues pruned to eliminate duplicates Z: 18 20.973 2.095 0.845 0.516 0.941 0.647 CB 1.376 18 residues pruned to eliminate duplicates Z: 16 25.043 2.248 0.775 0.816 0.800 0.600 CA 1.539 16 residues pruned to eliminate duplicates Z: 17 30.967 2.165 0.989 0.596 1.000 0.875 CB 1.640 16 residues pruned to eliminate duplicates Z: 60 57.904 2.223 0.958 0.629 0.983 0.712 CB 1.560 60 residues pruned to eliminate duplicates Z: 30 32.485 2.232 0.980 0.585 0.862 0.379 CB 1.460 24 residues pruned to eliminate duplicates Z: 9 19.459 2.082 0.715 0.852 1.000 0.750 CB 1.425 9 residues pruned to eliminate duplicates Z: 14 33.954 2.223 0.859 0.887 1.000 0.692 CA 1.643 14 residues pruned to eliminate duplicates Z: 15 33.793 2.075 1.007 0.904 1.000 0.786 CA 1.544 15 residues pruned to eliminate duplicates Z: 15 28.520 2.167 0.566 0.916 1.000 0.857 CB 1.587 15 residues pruned to eliminate duplicates Z: 17 21.444 2.112 0.362 0.804 1.000 0.688 CA 1.430 17 residues pruned to eliminate duplicates Z: 16 35.784 2.174 1.044 0.893 1.000 0.800 CA 1.492 16 residues pruned to eliminate duplicates Z: 55 63.753 2.318 0.904 0.652 0.981 0.796 CB 1.738 55 residues pruned to eliminate duplicates Z: 60 55.105 2.345 0.888 0.575 0.898 0.644 CA 1.678 60 residues pruned to eliminate duplicates Z: 14 30.058 2.086 1.218 0.906 1.000 1.000 CB 1.282 14 residues pruned to eliminate duplicates Z: 16 26.024 2.161 0.508 0.837 0.933 0.667 CA 1.651 16 residues pruned to eliminate duplicates Z: 26 39.510 2.190 1.076 0.710 0.920 0.600 CB 1.561 26 residues pruned to eliminate duplicates Z: 13 32.349 2.232 0.940 0.904 1.000 1.000 CB 1.536 13 residues pruned to eliminate duplicates Z: 16 26.874 2.033 0.705 0.891 0.933 0.800 CA 1.542 16 residues pruned to eliminate duplicates Z: 81 70.727 2.311 1.003 0.570 0.925 0.650 CB 1.726 81 residues pruned to eliminate duplicates Z: 63 55.510 2.229 0.912 0.608 0.952 0.710 CB 1.569 64 residues pruned to eliminate duplicates Z: 16 27.510 2.064 0.771 0.940 0.933 0.933 CA 1.445 16 residues pruned to eliminate duplicates Z: 11 17.995 1.938 0.698 0.756 0.900 0.700 CB 1.530 11 residues pruned to eliminate duplicates Z: 62 56.551 2.230 0.922 0.618 0.951 0.770 CB 1.588 62 residues pruned to eliminate duplicates Z: 28 37.567 2.144 1.122 0.697 0.926 0.556 CB 1.434 26 residues pruned to eliminate duplicates Z: 66 65.390 2.328 0.966 0.583 0.954 0.723 CA 1.715 66 residues pruned to eliminate duplicates Z: 15 29.079 2.064 0.953 0.951 1.000 0.929 CB 1.328 15 residues pruned to eliminate duplicates Z: 10 25.722 2.340 0.634 0.757 1.000 0.222 CA 1.784 10 residues pruned to eliminate duplicates Z: 15 22.953 2.150 0.530 0.818 1.000 0.786 CB 1.415 15 residues pruned to eliminate duplicates Z: 65 71.231 2.359 0.991 0.610 0.984 0.734 CA 1.734 65 residues pruned to eliminate duplicates Z: 13 18.626 2.094 0.422 0.815 0.917 0.667 CB 1.497 13 residues pruned to eliminate duplicates Z: 14 31.309 2.167 1.084 0.855 1.000 0.846 CB 1.420 14 residues pruned to eliminate duplicates Z: 22 26.031 1.993 0.804 0.808 0.905 0.524 CB 1.334 11 residues pruned to eliminate duplicates Z: 15 19.222 2.101 0.386 0.904 0.929 0.786 CB 1.353 15 residues pruned to eliminate duplicates Z: 17 35.148 2.193 0.969 0.863 1.000 0.750 CA 1.493 17 residues pruned to eliminate duplicates Z: 11 19.078 1.910 0.667 0.825 1.000 0.600 CB 1.430 11 residues pruned to eliminate duplicates Z: 14 24.674 2.103 0.788 0.884 0.923 0.692 CB 1.425 14 residues pruned to eliminate duplicates Z: 14 27.327 1.986 0.948 0.932 1.000 0.923 CB 1.368 14 residues pruned to eliminate duplicates Z: 9 7.173 1.892 1.109 0.341 0.625 0.500 CB 1.209 9 residues pruned to eliminate duplicates Z: 60 58.759 2.203 1.006 0.633 1.000 0.729 CB 1.528 60 residues pruned to eliminate duplicates Z: 61 55.374 2.216 0.929 0.609 0.967 0.700 CB 1.560 61 residues pruned to eliminate duplicates Z: 65 66.109 2.340 0.968 0.592 0.969 0.719 CB 1.697 65 residues pruned to eliminate duplicates Z: 15 38.943 2.280 1.072 0.914 1.000 0.714 CA 1.558 15 residues pruned to eliminate duplicates Z: 26 36.560 2.081 1.260 0.713 0.920 0.680 CB 1.392 14 residues pruned to eliminate duplicates Z: 12 23.528 1.992 1.007 0.921 1.000 1.000 CB 1.249 12 residues pruned to eliminate duplicates Z: 19 12.612 1.898 0.677 0.350 0.778 0.389 CB 1.411 19 residues pruned to eliminate duplicates Z: 15 34.002 2.127 1.018 0.889 1.000 0.643 CB 1.524 15 residues pruned to eliminate duplicates Z: 49 60.272 2.340 1.004 0.644 0.958 0.688 CB 1.693 49 residues pruned to eliminate duplicates Z: 63 57.763 2.258 0.837 0.603 0.968 0.742 CB 1.657 63 residues pruned to eliminate duplicates Z: 11 17.111 1.994 0.882 0.762 0.900 0.600 CB 1.269 11 residues pruned to eliminate duplicates Z: 46 42.269 2.206 1.093 0.602 0.822 0.556 CB 1.505 46 residues pruned to eliminate duplicates Z: 65 58.699 2.265 0.911 0.583 0.953 0.766 CB 1.642 65 residues pruned to eliminate duplicates Z: 9 15.329 1.900 0.522 0.829 1.000 0.500 CB 1.410 9 residues pruned to eliminate duplicates Z: 9 24.469 2.144 0.955 0.824 1.000 1.000 CB 1.559 9 residues pruned to eliminate duplicates Z: 119 87.727 2.301 0.977 0.631 0.941 0.737 CB 1.669 118 residues pruned to eliminate duplicates Z: 17 20.392 2.118 0.359 0.807 0.875 0.688 CA 1.549 17 residues pruned to eliminate duplicates Z: 16 18.256 2.103 0.412 0.750 0.800 0.600 CA 1.587 16 residues pruned to eliminate duplicates Z: 60 55.273 2.210 0.916 0.625 0.983 0.797 CB 1.537 60 residues pruned to eliminate duplicates Z: 49 61.000 2.377 0.985 0.624 0.979 0.667 CA 1.695 49 residues pruned to eliminate duplicates Z: 11 18.704 2.049 1.124 0.767 0.900 0.500 CB 1.192 11 residues pruned to eliminate duplicates Z: 22 41.615 2.047 1.126 0.817 1.000 0.667 CB 1.585 22 residues pruned to eliminate duplicates Z: 10 19.390 2.062 0.960 0.817 0.889 0.778 CB 1.366 10 residues pruned to eliminate duplicates Z: 9 4.840 2.029 0.410 0.268 0.625 0.500 CA 1.245 9 residues pruned to eliminate duplicates Z: 14 32.930 2.169 1.104 0.898 1.000 0.846 CA 1.431 14 residues pruned to eliminate duplicates Z: 15 31.230 2.069 0.660 0.937 1.000 0.929 CB 1.692 15 residues pruned to eliminate duplicates Z: 15 27.857 2.072 0.913 0.948 1.000 0.929 CB 1.297 15 residues pruned to eliminate duplicates Z: 66 59.884 2.265 0.844 0.611 0.969 0.738 CB 1.651 66 residues pruned to eliminate duplicates Z: 111 77.962 2.291 0.907 0.613 0.936 0.700 CB 1.633 111 residues pruned to eliminate duplicates Z: 12 15.543 2.031 0.447 0.798 0.818 0.636 CA 1.501 12 residues pruned to eliminate duplicates Z: 13 20.941 1.944 1.227 0.634 0.833 0.750 C 1.478 13 residues pruned to eliminate duplicates Z: 15 26.973 2.037 0.814 0.937 1.000 1.000 CB 1.357 15 residues pruned to eliminate duplicates Z: 60 51.483 2.195 0.937 0.610 0.932 0.780 CB 1.523 60 residues pruned to eliminate duplicates Z: 65 66.626 2.329 0.976 0.603 0.969 0.688 CB 1.693 65 residues pruned to eliminate duplicates Z: 14 25.192 1.935 1.101 0.875 1.000 0.615 CB 1.250 14 residues pruned to eliminate duplicates Z: 51 46.145 2.190 0.899 0.618 0.880 0.640 CB 1.594 51 residues pruned to eliminate duplicates Z: 14 20.543 2.101 0.589 0.776 0.923 0.615 CB 1.450 14 residues pruned to eliminate duplicates Z: 66 60.484 2.278 0.897 0.586 0.954 0.692 CB 1.676 66 residues pruned to eliminate duplicates Z: 10 14.642 2.087 0.510 0.866 0.889 0.667 CB 1.276 10 residues pruned to eliminate duplicates Z: 22 19.290 2.178 0.770 0.389 0.810 0.476 CB 1.518 22 residues pruned to eliminate duplicates Z: 71 64.414 2.185 0.991 0.635 1.000 0.629 CB 1.559 71 residues pruned to eliminate duplicates Z: 24 27.692 1.889 0.823 0.819 0.957 0.522 CB 1.328 24 residues pruned to eliminate duplicates Z: 41 37.409 2.044 1.096 0.636 0.925 0.575 CB 1.315 41 residues pruned to eliminate duplicates Z: 64 66.547 2.334 0.993 0.601 0.968 0.746 CB 1.691 64 residues pruned to eliminate duplicates Z: 62 61.566 2.237 0.911 0.635 0.984 0.689 CB 1.652 62 residues pruned to eliminate duplicates Z: 49 39.936 2.075 0.774 0.646 0.979 0.771 CB 1.397 49 residues pruned to eliminate duplicates Z: 27 43.786 2.168 1.197 0.682 0.923 0.577 CB 1.652 27 residues pruned to eliminate duplicates Z: 19 27.975 2.177 1.041 0.728 0.889 0.333 CB 1.359 19 residues pruned to eliminate duplicates Z: 12 22.821 1.998 1.212 0.671 0.909 0.818 CB 1.462 12 residues pruned to eliminate duplicates Z: 15 27.006 2.108 1.170 0.670 0.857 0.571 CB 1.572 13 residues pruned to eliminate duplicates Z: 12 18.870 2.204 0.525 0.660 0.909 0.545 CA 1.606 12 residues pruned to eliminate duplicates Z: 15 27.997 2.430 0.531 0.752 0.929 0.643 CB 1.730 15 residues pruned to eliminate duplicates Z: 59 46.190 2.168 1.034 0.505 0.879 0.586 CB 1.556 37 residues pruned to eliminate duplicates Z: 14 28.748 2.094 0.897 0.906 0.923 0.692 CA 1.547 14 residues pruned to eliminate duplicates Z: 14 30.839 2.133 0.987 0.856 0.923 0.692 CB 1.612 14 residues pruned to eliminate duplicates Z: 73 62.569 2.179 1.022 0.609 0.958 0.569 CB 1.575 74 residues pruned to eliminate duplicates Z: 61 52.819 2.204 0.913 0.604 0.933 0.750 CB 1.569 61 residues pruned to eliminate duplicates Z: 15 23.749 2.097 0.831 0.825 0.857 0.786 CA 1.455 15 residues pruned to eliminate duplicates Z: 59 62.176 2.293 0.884 0.631 0.983 0.690 CB 1.701 59 residues pruned to eliminate duplicates Z: 61 54.027 2.193 0.975 0.613 0.950 0.683 CB 1.523 60 residues pruned to eliminate duplicates Z: 10 19.496 1.899 0.960 0.861 1.000 0.778 CB 1.283 10 residues pruned to eliminate duplicates Z: 54 53.643 2.243 0.804 0.626 0.981 0.698 CB 1.649 54 residues pruned to eliminate duplicates Z: 17 20.781 2.095 0.861 0.535 0.938 0.750 CB 1.373 17 residues pruned to eliminate duplicates Z: 13 22.807 2.040 0.803 0.876 1.000 0.833 CB 1.300 13 residues pruned to eliminate duplicates Z: 122 89.559 2.306 1.013 0.617 0.950 0.669 CB 1.652 122 residues pruned to eliminate duplicates Z: 14 24.388 1.988 0.909 0.843 1.000 0.846 CB 1.327 14 residues pruned to eliminate duplicates Z: 7 5.419 1.939 0.393 0.385 0.667 0.500 CB 1.389 7 residues pruned to eliminate duplicates Z: 7 4.597 2.080 0.509 0.332 0.667 0.667 CB 1.078 7 residues pruned to eliminate duplicates Z: 14 26.286 1.975 0.992 0.876 0.923 0.615 CB 1.459 14 residues pruned to eliminate duplicates Z: 15 30.464 2.106 0.815 0.904 0.929 0.714 CA 1.635 15 residues pruned to eliminate duplicates Z: 14 26.233 2.207 0.400 0.941 1.000 1.000 CA 1.635 14 residues pruned to eliminate duplicates Z: 16 23.726 2.098 0.441 0.893 1.000 0.933 CB 1.455 16 residues pruned to eliminate duplicates Z: 12 22.917 1.801 1.670 0.738 1.000 0.818 CA 1.160 11 residues pruned to eliminate duplicates Z: 14 37.212 2.195 0.893 0.925 1.000 0.538 CB 1.743 14 residues pruned to eliminate duplicates Z: 14 28.396 2.003 1.206 0.593 1.000 0.615 C 1.632 14 residues pruned to eliminate duplicates Z: 15 19.001 2.078 0.587 0.741 0.857 0.429 CB 1.448 15 residues pruned to eliminate duplicates Z: 10 17.284 2.060 0.566 0.786 1.000 0.778 CA 1.389 10 residues pruned to eliminate duplicates Z: 15 28.056 2.043 0.879 0.932 1.000 0.714 CB 1.364 15 residues pruned to eliminate duplicates Z: 29 23.763 1.966 0.741 0.681 0.929 0.607 CB 1.196 33 residues pruned to eliminate duplicates Z: 60 54.414 2.165 0.954 0.641 0.983 0.797 CB 1.493 60 residues pruned to eliminate duplicates Z: 8 7.145 2.078 0.859 0.274 0.714 0.429 CB 1.265 Z: 16 19.134 1.768 0.763 0.832 0.933 0.667 CB 1.275 16 residues pruned to eliminate duplicates Z: 15 33.199 2.162 0.867 0.882 1.000 0.643 CB 1.591 15 residues pruned to eliminate duplicates Z: 19 16.611 2.060 0.950 0.476 0.667 0.500 CA 1.498 19 residues pruned to eliminate duplicates Z: 11 16.468 1.850 0.892 0.840 1.000 0.700 CB 1.110 11 residues pruned to eliminate duplicates Z: 63 66.984 2.354 1.023 0.597 0.935 0.726 CA 1.741 63 residues pruned to eliminate duplicates Z: 9 3.159 1.476 0.283 0.223 0.750 0.375 CB 1.088 9 residues pruned to eliminate duplicates Z: 44 54.535 2.252 0.834 0.678 0.977 0.651 CB 1.750 44 residues pruned to eliminate duplicates Z: 17 13.527 1.914 0.357 0.787 0.812 0.688 CB 1.245 17 residues pruned to eliminate duplicates Z: 64 57.524 2.259 0.822 0.590 0.968 0.635 CB 1.668 64 residues pruned to eliminate duplicates Z: 13 25.467 1.984 1.065 0.905 1.000 0.750 CB 1.277 13 residues pruned to eliminate duplicates Z: 23 30.180 2.005 0.824 0.815 0.955 0.773 CA 1.402 23 residues pruned to eliminate duplicates Z: 16 32.961 2.105 0.972 0.942 1.000 0.867 CB 1.422 16 residues pruned to eliminate duplicates Z: 14 20.041 1.921 0.939 0.848 0.923 0.923 CB 1.199 14 residues pruned to eliminate duplicates Z: 7 17.071 2.308 0.275 0.863 1.000 0.667 CB 1.738 7 residues pruned to eliminate duplicates Z: 7 4.867 1.311 0.436 0.664 1.000 0.500 CB 0.907 Z: 16 20.172 2.097 0.507 0.792 0.867 0.600 CB 1.472 16 residues pruned to eliminate duplicates Z: 12 33.134 2.141 1.600 0.683 0.909 0.727 CB 1.669 12 residues pruned to eliminate duplicates Z: 12 25.324 2.165 0.712 0.896 1.000 1.000 CB 1.476 12 residues pruned to eliminate duplicates Z: 9 4.094 1.491 -0.161 0.552 0.875 0.625 N 1.257 Z: 15 17.926 1.998 0.266 0.940 1.000 0.929 CB 1.315 15 residues pruned to eliminate duplicates Z: 14 24.490 2.111 0.654 0.944 1.000 0.923 CB 1.347 14 residues pruned to eliminate duplicates Z: 16 17.415 1.872 0.573 0.700 0.933 0.600 CB 1.363 16 residues pruned to eliminate duplicates Z: 66 63.139 2.316 0.981 0.574 0.938 0.723 CB 1.693 66 residues pruned to eliminate duplicates Z: 58 54.957 2.202 1.032 0.637 0.947 0.719 CB 1.511 58 residues pruned to eliminate duplicates Z: 63 54.875 2.257 0.980 0.548 0.935 0.613 CB 1.592 63 residues pruned to eliminate duplicates Z: 14 24.599 1.937 1.019 0.914 0.923 0.846 CB 1.337 14 residues pruned to eliminate duplicates Z: 15 34.200 2.134 0.921 0.928 1.000 0.714 CB 1.561 15 residues pruned to eliminate duplicates Z: 9 8.382 1.973 0.170 0.816 0.750 0.750 CB 1.301 9 residues pruned to eliminate duplicates Z: 16 29.109 2.333 0.753 0.777 0.933 0.600 CA 1.542 16 residues pruned to eliminate duplicates Z: 9 3.040 1.641 0.121 0.309 0.625 0.250 N 1.156 Z: 15 28.307 2.089 0.744 0.932 1.000 0.929 CB 1.451 15 residues pruned to eliminate duplicates Z: 11 20.918 2.132 1.032 0.684 0.900 0.800 CB 1.434 11 residues pruned to eliminate duplicates Z: 17 20.281 2.006 0.698 0.481 0.938 0.625 CB 1.619 34 residues pruned to eliminate duplicates Z: 14 30.791 1.926 1.138 0.918 1.000 0.846 CA 1.463 14 residues pruned to eliminate duplicates Z: 14 25.784 1.900 1.157 0.750 1.000 0.769 CB 1.395 14 residues pruned to eliminate duplicates Z: 12 14.920 2.005 0.395 0.772 0.818 0.636 CB 1.545 12 residues pruned to eliminate duplicates Z: 23 30.632 1.909 0.757 0.875 1.000 0.773 CB 1.416 23 residues pruned to eliminate duplicates Z: 15 26.446 2.127 0.676 0.890 1.000 0.786 CB 1.426 15 residues pruned to eliminate duplicates Z: 10 16.652 2.029 1.004 0.436 1.000 0.556 CB 1.458 10 residues pruned to eliminate duplicates Z: 23 32.375 2.076 0.967 0.835 1.000 0.591 CB 1.266 23 residues pruned to eliminate duplicates Z: 63 56.858 2.260 0.971 0.599 0.903 0.548 CB 1.633 67 residues pruned to eliminate duplicates Z: 23 18.065 1.950 0.383 0.787 0.864 0.455 CB 1.285 23 residues pruned to eliminate duplicates Z: 15 34.110 2.054 1.016 0.883 1.000 0.786 CA 1.592 15 residues pruned to eliminate duplicates Z: 65 70.384 2.356 1.079 0.588 0.953 0.672 CB 1.732 65 residues pruned to eliminate duplicates Z: 31 27.969 2.024 0.655 0.611 0.967 0.500 CB 1.420 31 residues pruned to eliminate duplicates Z: 115 79.697 2.268 0.924 0.611 0.939 0.693 CB 1.641 60 residues pruned to eliminate duplicates Z: 8 9.422 1.853 0.845 0.409 1.000 0.571 CB 1.146 Z: 12 19.101 2.256 0.289 0.738 0.909 0.364 CA 1.759 12 residues pruned to eliminate duplicates Z: 14 29.452 2.033 1.088 0.909 1.000 0.692 CB 1.366 14 residues pruned to eliminate duplicates Z: 13 13.231 1.862 0.251 0.792 0.917 0.500 CA 1.385 13 residues pruned to eliminate duplicates Z: 69 65.801 2.205 1.071 0.650 0.956 0.735 CB 1.589 105 residues pruned to eliminate duplicates Z: 12 29.963 2.082 1.279 0.781 1.000 0.818 CA 1.487 12 residues pruned to eliminate duplicates Z: 43 50.536 2.248 0.969 0.675 0.952 0.714 CB 1.574 43 residues pruned to eliminate duplicates Z: 36 40.921 2.114 1.007 0.646 0.886 0.600 CB 1.606 36 residues pruned to eliminate duplicates Z: 15 26.202 2.085 0.688 0.920 1.000 0.786 CB 1.401 15 residues pruned to eliminate duplicates Z: 62 55.119 2.195 0.988 0.617 0.951 0.770 CB 1.523 62 residues pruned to eliminate duplicates Z: 15 17.066 2.092 0.492 0.750 0.786 0.429 CB 1.489 15 residues pruned to eliminate duplicates Z: 14 22.841 2.114 0.548 0.908 1.000 0.692 CB 1.375 14 residues pruned to eliminate duplicates Z: 13 12.221 1.922 0.269 0.793 0.750 0.500 CB 1.492 13 residues pruned to eliminate duplicates Z: 19 38.532 2.347 1.164 0.603 0.944 0.667 CA 1.716 22 residues pruned to eliminate duplicates Z: 17 25.345 2.180 0.898 0.586 0.938 0.812 CB 1.505 17 residues pruned to eliminate duplicates Z: 7 13.187 2.135 0.361 0.819 0.833 0.667 CA 1.686 7 residues pruned to eliminate duplicates Z: 27 31.581 2.029 1.128 0.672 0.885 0.615 CB 1.384 Z: 64 65.887 2.311 0.887 0.620 0.952 0.730 CA 1.784 64 residues pruned to eliminate duplicates Z: 15 24.503 1.857 0.978 0.881 1.000 0.786 CB 1.290 15 residues pruned to eliminate duplicates Z: 9 3.450 1.563 0.160 0.664 0.875 0.750 CB 0.661 Z: 15 25.239 2.160 0.730 0.762 1.000 0.643 CB 1.431 15 residues pruned to eliminate duplicates Z: 10 13.925 1.816 0.617 0.821 0.889 0.778 CB 1.346 10 residues pruned to eliminate duplicates Z: 14 23.830 1.875 1.119 0.917 1.000 0.923 CB 1.174 14 residues pruned to eliminate duplicates Z: 24 32.731 1.828 0.855 0.877 1.000 0.739 CA 1.462 24 residues pruned to eliminate duplicates Z: 15 30.415 2.069 0.936 0.942 1.000 0.714 CB 1.407 15 residues pruned to eliminate duplicates Z: 52 31.347 2.052 1.055 0.492 0.804 0.647 CB 1.306 79 residues pruned to eliminate duplicates Z: 63 66.143 2.369 0.983 0.591 0.952 0.710 CB 1.722 63 residues pruned to eliminate duplicates Z: 23 23.843 2.097 0.935 0.440 0.864 0.545 CB 1.543 23 residues pruned to eliminate duplicates Z: 14 29.996 2.087 1.133 0.947 1.000 0.769 CB 1.291 14 residues pruned to eliminate duplicates Z: 15 28.733 2.064 0.869 0.931 1.000 0.643 CB 1.391 15 residues pruned to eliminate duplicates Z: 16 24.039 2.017 0.589 0.914 1.000 0.600 CB 1.370 16 residues pruned to eliminate duplicates Z: 10 12.124 2.036 0.607 0.372 0.889 0.556 CA 1.594 10 residues pruned to eliminate duplicates Z: 24 28.748 1.871 0.861 0.835 0.957 0.609 CB 1.347 Z: 6 3.867 1.518 0.012 0.415 1.000 0.600 CB 1.230 Z: 14 6.608 1.841 0.520 0.281 0.692 0.538 CB 1.211 14 residues pruned to eliminate duplicates Z: 8 6.189 1.801 0.896 0.378 0.714 0.429 CB 1.093 8 residues pruned to eliminate duplicates Z: 64 54.788 2.232 0.863 0.605 0.952 0.778 CB 1.577 64 residues pruned to eliminate duplicates Z: 13 17.727 1.851 1.327 0.571 0.833 0.750 CB 1.331 13 residues pruned to eliminate duplicates Z: 14 32.049 2.176 0.954 0.901 1.000 0.923 CA 1.492 14 residues pruned to eliminate duplicates Z: 15 20.106 2.173 0.447 0.789 0.857 0.643 CB 1.547 15 residues pruned to eliminate duplicates Z: 14 14.846 1.981 0.316 0.849 0.846 0.538 CB 1.383 Z: 12 6.335 1.814 0.721 0.295 0.727 0.455 CA 1.058 12 residues pruned to eliminate duplicates Z: 20 28.067 2.086 0.901 0.576 0.947 0.632 CA 1.593 20 residues pruned to eliminate duplicates Z: 13 19.146 2.105 0.247 0.843 0.917 0.583 CA 1.710 13 residues pruned to eliminate duplicates Z: 23 26.071 1.938 0.954 0.777 0.864 0.545 CB 1.331 23 residues pruned to eliminate duplicates Z: 8 5.476 1.843 -0.379 0.660 1.000 0.429 CB 1.559 Z: 8 18.057 2.078 0.834 0.901 0.857 0.857 CA 1.491 11 residues pruned to eliminate duplicates Z: 21 27.214 2.215 1.109 0.514 0.800 0.700 CB 1.606 21 residues pruned to eliminate duplicates Z: 44 40.677 2.076 0.952 0.635 0.884 0.465 CB 1.526 43 residues pruned to eliminate duplicates Z: 30 25.542 1.941 1.144 0.612 0.828 0.552 CB 1.239 18 residues pruned to eliminate duplicates Z: 14 21.218 1.869 0.564 0.898 1.000 0.846 CB 1.440 14 residues pruned to eliminate duplicates Z: 8 13.059 2.148 0.134 0.854 1.000 0.714 CB 1.497 8 residues pruned to eliminate duplicates Z: 60 52.782 2.182 0.899 0.638 0.966 0.763 CB 1.509 60 residues pruned to eliminate duplicates Z: 17 11.393 1.869 1.042 0.244 0.750 0.562 N 1.337 17 residues pruned to eliminate duplicates Z: 37 46.564 2.223 1.139 0.631 0.944 0.750 CB 1.528 37 residues pruned to eliminate duplicates Z: 12 13.261 1.867 0.512 0.749 0.909 0.727 CB 1.247 12 residues pruned to eliminate duplicates Z: 17 20.017 1.985 0.688 0.737 0.812 0.500 CB 1.486 17 residues pruned to eliminate duplicates Z: 64 60.641 2.290 0.903 0.608 0.968 0.651 CB 1.634 64 residues pruned to eliminate duplicates Z: 16 25.932 2.236 0.536 0.764 0.933 0.533 CA 1.652 16 residues pruned to eliminate duplicates Z: 65 51.746 2.283 0.660 0.569 0.938 0.625 CB 1.704 65 residues pruned to eliminate duplicates Z: 16 31.475 2.170 1.178 0.643 0.933 0.800 CA 1.611 16 residues pruned to eliminate duplicates Z: 8 8.145 1.813 0.481 0.776 0.857 0.714 CB 1.048 8 residues pruned to eliminate duplicates Z: 6 7.693 1.746 0.327 0.754 1.000 0.800 CA 1.185 6 residues pruned to eliminate duplicates Z: 22 19.567 1.739 0.822 0.773 0.905 0.667 CB 1.171 22 residues pruned to eliminate duplicates Z: 8 11.006 1.723 0.255 0.719 1.000 0.714 CB 1.578 Z: 6 2.540 1.283 0.291 0.691 1.000 0.800 CB 0.576 6 residues pruned to eliminate duplicates Z: 47 38.039 2.064 0.924 0.617 0.848 0.522 CB 1.492 47 residues pruned to eliminate duplicates Z: 15 31.142 2.160 0.823 0.899 1.000 0.714 CB 1.511 15 residues pruned to eliminate duplicates Z: 14 24.235 1.951 1.007 0.891 1.000 0.692 CB 1.234 14 residues pruned to eliminate duplicates Z: 49 53.796 2.281 0.876 0.626 0.958 0.646 CB 1.682 96 residues pruned to eliminate duplicates Z: 10 14.144 1.894 0.601 0.733 0.889 0.556 CB 1.418 10 residues pruned to eliminate duplicates Z: 8 5.759 1.596 -0.034 0.650 1.000 0.714 CB 1.227 Z: 9 7.053 1.871 0.271 0.320 1.000 0.750 CB 1.278 6 residues pruned to eliminate duplicates Z: 22 33.130 2.032 0.904 0.843 0.952 0.762 CB 1.461 22 residues pruned to eliminate duplicates Z: 15 21.733 2.140 0.573 0.845 0.929 0.643 CB 1.382 15 residues pruned to eliminate duplicates Z: 48 43.843 2.135 0.941 0.584 0.894 0.617 CB 1.593 48 residues pruned to eliminate duplicates Z: 14 28.976 2.147 0.836 0.913 1.000 0.692 CB 1.444 14 residues pruned to eliminate duplicates Z: 16 19.154 2.127 0.552 0.755 0.867 0.667 CB 1.378 16 residues pruned to eliminate duplicates Z: 12 5.319 1.669 0.072 0.382 0.909 0.545 CB 1.118 Z: 29 53.175 2.350 1.208 0.720 0.929 0.714 CB 1.711 29 residues pruned to eliminate duplicates Z: 9 11.982 1.879 0.256 0.893 1.000 0.750 CB 1.289 9 residues pruned to eliminate duplicates Z: 12 4.577 1.601 -0.034 0.442 0.818 0.636 N 1.158 Z: 44 36.763 2.009 0.898 0.577 0.953 0.605 CB 1.431 77 residues pruned to eliminate duplicates Z: 15 29.436 2.282 0.830 0.775 0.857 0.500 CA 1.724 15 residues pruned to eliminate duplicates Z: 8 5.083 1.762 0.437 0.302 0.857 0.429 CA 1.104 Z: 13 27.528 2.063 0.945 0.893 1.000 0.833 CB 1.421 Z: 127 86.644 2.315 0.933 0.602 0.952 0.683 CB 1.644 81 residues pruned to eliminate duplicates Z: 8 7.415 1.862 -0.206 0.694 1.000 0.714 CB 1.587 6 residues pruned to eliminate duplicates Z: 7 4.889 1.743 -0.162 0.739 1.000 1.000 CB 1.102 Z: 11 9.838 1.718 0.552 0.803 1.000 0.700 CB 0.896 11 residues pruned to eliminate duplicates Z: 16 30.895 2.027 1.015 0.919 1.000 0.867 CB 1.376 16 residues pruned to eliminate duplicates Z: 6 3.470 1.685 -0.246 0.672 0.800 0.600 O 1.303 Z: 7 3.139 1.475 0.744 0.386 0.833 0.833 CB 0.674 7 residues pruned to eliminate duplicates Z: 9 6.822 1.578 0.537 0.857 1.000 0.500 CB 0.733 Z: 15 16.334 1.983 0.536 0.868 0.857 0.857 CB 1.222 15 residues pruned to eliminate duplicates Z: 48 41.356 2.052 1.036 0.664 0.851 0.681 CB 1.457 39 residues pruned to eliminate duplicates Z: 10 3.200 1.802 -0.073 0.374 0.667 0.556 N 1.096 10 residues pruned to eliminate duplicates Z: 13 25.478 2.029 0.891 0.902 1.000 0.667 CB 1.366 13 residues pruned to eliminate duplicates Z: 15 21.617 1.907 1.268 0.662 0.857 0.643 CA 1.341 Z: 62 59.056 2.271 0.871 0.616 0.951 0.689 CB 1.676 62 residues pruned to eliminate duplicates Z: 91 68.831 2.307 0.882 0.599 0.944 0.778 CB 1.611 91 residues pruned to eliminate duplicates Z: 27 30.374 2.073 0.941 0.611 0.885 0.346 CB 1.506 27 residues pruned to eliminate duplicates Z: 13 38.652 2.240 1.140 0.883 1.000 0.667 CA 1.683 13 residues pruned to eliminate duplicates Z: 24 21.433 1.844 0.599 0.794 0.913 0.652 CB 1.283 Z: 15 10.303 1.770 0.775 0.455 0.786 0.429 CB 1.169 15 residues pruned to eliminate duplicates Z: 8 4.534 1.656 -0.206 0.829 1.000 0.857 CB 0.980 8 residues pruned to eliminate duplicates Z: 12 9.804 1.750 0.339 0.758 0.909 0.636 CB 1.103 12 residues pruned to eliminate duplicates Z: 9 6.825 1.790 -0.188 0.632 1.000 0.625 N 1.467 6 residues pruned to eliminate duplicates Z: 13 30.281 2.246 1.106 0.825 0.917 0.583 CA 1.521 13 residues pruned to eliminate duplicates Z: 12 7.159 1.783 -0.071 0.587 1.000 0.818 CB 1.200 14 residues pruned to eliminate duplicates Z: 16 21.898 2.250 0.378 0.784 0.867 0.667 CA 1.639 16 residues pruned to eliminate duplicates Z: 10 8.134 1.913 -0.138 0.614 0.889 0.667 CB 1.660 8 residues pruned to eliminate duplicates Z: 14 23.769 1.987 0.868 0.858 1.000 0.615 CB 1.308 14 residues pruned to eliminate duplicates Z: 10 7.177 1.754 0.152 0.676 0.889 0.556 CB 1.133 8 residues pruned to eliminate duplicates Z: 20 22.656 1.960 1.003 0.753 0.842 0.421 CB 1.255 21 residues pruned to eliminate duplicates Z: 22 32.938 2.020 1.119 0.834 0.952 0.619 CB 1.321 23 residues pruned to eliminate duplicates Z: 28 19.922 1.976 0.733 0.661 0.852 0.333 CB 1.132 28 residues pruned to eliminate duplicates Z: 9 12.051 1.824 0.907 0.516 1.000 0.875 CB 1.205 8 residues pruned to eliminate duplicates Z: 44 39.957 2.128 1.052 0.635 0.860 0.558 CB 1.428 44 residues pruned to eliminate duplicates Z: 14 38.037 2.234 1.023 0.895 1.000 0.846 CA 1.674 14 residues pruned to eliminate duplicates Z: 20 23.472 2.052 0.625 0.537 1.000 0.632 CB 1.557 20 residues pruned to eliminate duplicates Z: 7 7.232 1.646 0.170 0.684 1.000 0.833 O 1.296 6 residues pruned to eliminate duplicates Z: 13 15.692 1.998 0.813 0.529 0.833 0.667 CA 1.458 13 residues pruned to eliminate duplicates 6 1.595 1.379 -0.218 0.618 0.800 0.800 CB 0.739 ? Z: 15 30.494 2.124 0.828 0.920 1.000 0.714 CB 1.478 15 residues pruned to eliminate duplicates Z: 12 21.694 2.076 0.478 0.843 0.909 0.545 CB 1.745 12 residues pruned to eliminate duplicates Z: 18 25.773 2.035 0.942 0.556 0.941 0.647 CB 1.591 18 residues pruned to eliminate duplicates Z: 12 9.467 1.656 0.477 0.785 1.000 0.455 CB 0.908 12 residues pruned to eliminate duplicates Z: 25 27.985 1.908 0.706 0.839 0.958 0.708 CB 1.368 25 residues pruned to eliminate duplicates Z: 14 25.799 1.980 0.767 0.892 1.000 0.769 CB 1.469 14 residues pruned to eliminate duplicates Z: 15 28.525 2.385 0.977 0.598 0.857 0.643 CB 1.718 15 residues pruned to eliminate duplicates Z: 12 38.756 2.320 1.417 0.811 0.909 0.909 CB 1.748 12 residues pruned to eliminate duplicates 6 1.684 1.450 0.375 0.241 0.600 0.400 N 0.849 ? Z: 65 57.954 2.257 0.795 0.613 0.922 0.672 CA 1.742 65 residues pruned to eliminate duplicates Z: 54 56.480 2.287 0.727 0.645 1.000 0.717 CB 1.716 54 residues pruned to eliminate duplicates Z: 23 23.198 1.891 0.753 0.799 0.909 0.636 CB 1.263 23 residues pruned to eliminate duplicates Z: 7 12.286 1.991 0.475 0.882 1.000 0.667 CB 1.236 7 residues pruned to eliminate duplicates Z: 61 54.002 2.249 0.754 0.620 0.917 0.667 CB 1.721 61 residues pruned to eliminate duplicates Z: 31 42.626 2.195 1.039 0.692 0.933 0.800 CB 1.563 31 residues pruned to eliminate duplicates Z: 12 21.606 2.062 0.781 0.818 0.909 0.818 CA 1.481 12 residues pruned to eliminate duplicates Z: 12 26.620 1.920 1.547 0.720 1.000 0.818 CB 1.345 12 residues pruned to eliminate duplicates Z: 23 33.639 2.075 1.004 0.861 1.000 0.500 CB 1.267 23 residues pruned to eliminate duplicates Z: 12 14.780 1.892 0.574 0.837 0.909 0.545 CB 1.232 12 residues pruned to eliminate duplicates Z: 9 8.668 1.714 0.647 0.531 0.875 0.875 CB 1.203 Z: 66 62.358 2.303 0.947 0.607 0.954 0.769 CB 1.634 66 residues pruned to eliminate duplicates Z: 19 17.448 1.902 1.100 0.480 0.833 0.667 CB 1.260 19 residues pruned to eliminate duplicates Z: 36 44.826 2.145 1.040 0.739 0.886 0.629 CB 1.578 36 residues pruned to eliminate duplicates Z: 15 26.638 2.167 0.931 0.647 0.929 0.857 CB 1.598 15 residues pruned to eliminate duplicates Z: 13 20.334 2.088 0.495 0.909 1.000 0.917 CB 1.335 13 residues pruned to eliminate duplicates Z: 8 8.982 1.825 0.404 0.774 0.857 0.857 CB 1.213 8 residues pruned to eliminate duplicates Z: 42 35.296 2.081 1.047 0.620 0.805 0.561 CB 1.435 42 residues pruned to eliminate duplicates Z: 30 45.068 2.313 0.832 0.641 0.966 0.621 CA 1.794 30 residues pruned to eliminate duplicates Z: 7 4.372 1.697 -0.223 0.734 1.000 0.667 CB 1.097 7 residues pruned to eliminate duplicates Z: 15 17.300 2.024 0.859 0.387 0.857 0.357 CA 1.617 15 residues pruned to eliminate duplicates Z: 7 4.134 1.644 -0.353 0.750 1.000 0.667 N 1.269 Z: 13 9.721 2.130 0.584 0.281 0.667 0.583 CB 1.597 13 residues pruned to eliminate duplicates Z: 12 18.432 1.779 1.367 0.784 0.909 0.727 CA 1.131 12 residues pruned to eliminate duplicates Z: 17 23.026 1.921 0.546 0.824 1.000 0.812 CB 1.464 17 residues pruned to eliminate duplicates Z: 14 30.662 2.107 1.044 0.944 1.000 0.769 CB 1.367 Z: 9 19.577 2.010 1.227 0.786 1.000 0.625 CB 1.202 9 residues pruned to eliminate duplicates Z: 10 3.580 1.733 0.432 0.183 0.556 0.333 CB 1.267 10 residues pruned to eliminate duplicates Z: 14 23.391 1.987 0.962 0.876 1.000 0.769 CB 1.210 14 residues pruned to eliminate duplicates Z: 13 23.886 2.050 1.203 0.679 0.917 0.750 CB 1.412 13 residues pruned to eliminate duplicates Z: 14 20.778 1.913 0.952 0.894 0.923 0.692 CB 1.199 14 residues pruned to eliminate duplicates Z: 16 21.404 2.034 0.406 0.921 1.000 0.733 CB 1.360 16 residues pruned to eliminate duplicates Z: 45 48.930 2.216 0.932 0.663 0.955 0.682 CB 1.552 45 residues pruned to eliminate duplicates Z: 38 24.194 1.934 0.713 0.560 0.865 0.351 CB 1.310 38 residues pruned to eliminate duplicates Z: 7 2.305 1.455 0.279 0.312 0.667 0.500 N 0.935 Z: 64 57.284 2.278 0.740 0.575 0.968 0.683 CB 1.748 64 residues pruned to eliminate duplicates Z: 16 12.192 1.868 0.242 0.725 0.800 0.467 CA 1.385 16 residues pruned to eliminate duplicates Z: 6 2.989 1.567 0.334 0.329 0.800 0.400 CB 0.964 Z: 39 42.648 2.165 0.928 0.702 0.947 0.737 CB 1.456 39 residues pruned to eliminate duplicates Z: 11 18.580 2.246 0.514 0.817 0.800 0.500 CA 1.641 11 residues pruned to eliminate duplicates Z: 31 32.627 1.980 0.998 0.577 0.933 0.800 CA 1.498 31 residues pruned to eliminate duplicates Z: 14 18.014 1.931 0.583 0.836 0.923 0.692 CB 1.326 14 residues pruned to eliminate duplicates Z: 38 41.224 2.239 0.949 0.550 0.892 0.703 CA 1.658 38 residues pruned to eliminate duplicates Z: 12 10.598 1.701 0.727 0.752 0.909 0.636 CB 0.955 12 residues pruned to eliminate duplicates Z: 20 22.114 1.873 0.670 0.822 0.947 0.789 CB 1.295 20 residues pruned to eliminate duplicates Z: 29 37.281 2.213 0.993 0.672 0.857 0.500 CB 1.589 29 residues pruned to eliminate duplicates Z: 61 53.250 2.253 1.100 0.610 0.850 0.583 CB 1.541 43 residues pruned to eliminate duplicates Z: 6 6.714 1.769 0.562 0.588 0.800 0.600 CB 1.248 6 residues pruned to eliminate duplicates Z: 15 26.893 2.087 0.552 0.950 1.000 0.929 CA 1.530 15 residues pruned to eliminate duplicates Z: 22 31.587 2.184 1.502 0.494 0.857 0.762 CA 1.480 22 residues pruned to eliminate duplicates Z: 60 57.925 2.252 0.792 0.621 0.949 0.695 CA 1.757 60 residues pruned to eliminate duplicates Z: 61 61.454 2.322 0.947 0.623 0.933 0.650 CB 1.674 61 residues pruned to eliminate duplicates Z: 9 9.765 1.867 0.716 0.479 0.875 0.500 CB 1.257 Z: 17 26.089 2.250 0.768 0.524 1.000 0.688 CB 1.601 17 residues pruned to eliminate duplicates Z: 61 61.523 2.246 0.899 0.613 0.967 0.700 CB 1.731 61 residues pruned to eliminate duplicates Z: 16 23.975 2.100 0.635 0.778 0.867 0.533 CB 1.628 16 residues pruned to eliminate duplicates Z: 8 25.056 2.270 0.910 0.801 1.000 1.000 CA 1.679 8 residues pruned to eliminate duplicates Z: 7 7.850 1.937 -0.190 0.852 1.000 1.000 CB 1.509 7 residues pruned to eliminate duplicates Z: 17 18.308 2.005 0.966 0.686 0.875 0.562 CB 1.119 17 residues pruned to eliminate duplicates Z: 15 30.314 2.150 0.821 0.920 1.000 0.857 CB 1.458 15 residues pruned to eliminate duplicates Z: 63 57.174 2.258 0.812 0.598 0.935 0.758 CA 1.728 63 residues pruned to eliminate duplicates Z: 13 18.996 2.070 0.324 0.863 0.917 0.750 CA 1.602 13 residues pruned to eliminate duplicates Z: 69 60.523 2.234 0.914 0.594 0.985 0.691 CB 1.593 83 residues pruned to eliminate duplicates Z: 6 2.603 1.560 -0.006 0.299 1.000 0.400 C 0.940 Z: 42 56.239 2.364 1.058 0.627 0.951 0.732 CA 1.684 42 residues pruned to eliminate duplicates Z: 11 9.531 1.624 0.768 0.768 0.900 0.500 CB 0.920 12 residues pruned to eliminate duplicates Z: 16 20.987 2.103 0.470 0.812 1.000 0.667 CB 1.336 16 residues pruned to eliminate duplicates Z: 8 2.644 1.334 0.449 0.214 0.857 0.571 CB 0.845 Z: 61 57.922 2.239 0.750 0.631 1.000 0.717 CA 1.688 61 residues pruned to eliminate duplicates Z: 25 37.086 2.046 1.141 0.799 0.958 0.583 CB 1.389 25 residues pruned to eliminate duplicates Z: 61 57.101 2.304 0.897 0.617 0.933 0.700 CB 1.618 61 residues pruned to eliminate duplicates Z: 15 9.212 1.851 0.494 0.310 0.714 0.500 CB 1.539 32 residues pruned to eliminate duplicates Z: 17 28.964 2.015 0.860 0.930 0.938 0.812 CA 1.440 17 residues pruned to eliminate duplicates Z: 13 13.398 1.790 0.624 0.593 0.917 0.833 CB 1.328 Z: 17 29.171 2.294 1.222 0.518 0.875 0.688 CB 1.605 17 residues pruned to eliminate duplicates Z: 9 8.590 1.887 -0.118 0.714 1.000 1.000 CB 1.503 15 residues pruned to eliminate duplicates Z: 9 2.436 1.468 0.339 0.281 0.875 0.500 CB 0.641 7 residues pruned to eliminate duplicates Z: 23 28.837 2.193 0.946 0.425 0.909 0.682 CB 1.713 23 residues pruned to eliminate duplicates Z: 45 51.108 2.197 0.866 0.635 0.955 0.659 CB 1.734 45 residues pruned to eliminate duplicates Z: 8 5.051 1.667 0.219 0.665 0.857 0.714 CB 0.941 8 residues pruned to eliminate duplicates Z: 12 12.654 1.813 0.397 0.856 0.909 0.727 CB 1.223 12 residues pruned to eliminate duplicates Z: 15 34.474 2.173 0.871 0.917 0.929 0.500 CA 1.722 15 residues pruned to eliminate duplicates Z: 57 59.093 2.351 0.833 0.639 0.946 0.679 CB 1.700 57 residues pruned to eliminate duplicates Z: 59 61.013 2.295 0.902 0.640 0.966 0.707 CB 1.668 59 residues pruned to eliminate duplicates Z: 14 21.562 2.004 0.517 0.932 1.000 0.923 CB 1.373 14 residues pruned to eliminate duplicates Z: 6 8.327 2.095 0.265 0.639 1.000 0.800 CA 1.233 6 residues pruned to eliminate duplicates Z: 13 38.122 2.216 1.210 0.904 1.000 0.917 CA 1.602 13 residues pruned to eliminate duplicates Z: 27 41.656 2.215 1.009 0.717 0.962 0.769 CB 1.570 27 residues pruned to eliminate duplicates Z: 15 33.629 2.286 1.118 0.693 1.000 0.929 CB 1.556 16 residues pruned to eliminate duplicates 6 1.835 1.305 0.253 0.546 0.800 0.800 C 0.600 ? Z: 6 4.639 1.494 0.596 0.747 0.800 0.800 N 0.872 6 residues pruned to eliminate duplicates Z: 43 50.132 2.189 1.027 0.672 0.952 0.714 CB 1.562 43 residues pruned to eliminate duplicates Z: 8 10.808 1.966 0.735 0.442 0.857 0.714 CB 1.482 8 residues pruned to eliminate duplicates Z: 14 11.358 2.138 0.596 0.327 0.846 0.385 CB 1.318 14 residues pruned to eliminate duplicates Z: 6 4.406 1.764 0.630 0.393 0.800 0.800 C 0.959 6 residues pruned to eliminate duplicates Z: 66 60.074 2.290 0.902 0.586 0.954 0.723 CB 1.652 66 residues pruned to eliminate duplicates Z: 13 20.194 2.052 0.601 0.793 0.917 0.417 CB 1.496 13 residues pruned to eliminate duplicates Z: 44 37.110 2.072 0.917 0.681 0.791 0.465 CB 1.526 44 residues pruned to eliminate duplicates Z: 14 13.464 1.988 1.195 0.405 0.769 0.615 CB 1.230 14 residues pruned to eliminate duplicates Z: 10 12.150 1.662 0.575 0.837 1.000 0.778 CB 1.157 11 residues pruned to eliminate duplicates Z: 48 31.200 1.930 0.873 0.618 0.872 0.553 CB 1.291 48 residues pruned to eliminate duplicates Z: 42 52.718 2.298 0.874 0.616 0.976 0.707 CB 1.755 42 residues pruned to eliminate duplicates Z: 54 59.887 2.243 0.992 0.677 0.981 0.755 CB 1.594 54 residues pruned to eliminate duplicates Z: 45 47.141 2.196 0.622 0.701 0.955 0.705 CA 1.741 45 residues pruned to eliminate duplicates Z: 41 42.983 2.134 0.781 0.710 0.975 0.725 CB 1.516 41 residues pruned to eliminate duplicates Z: 33 30.325 2.153 0.996 0.481 0.875 0.656 CA 1.453 33 residues pruned to eliminate duplicates Z: 22 30.141 1.973 1.069 0.833 0.905 0.619 CB 1.336 22 residues pruned to eliminate duplicates Z: 6 2.707 1.346 0.295 0.291 0.800 0.400 N 1.097 Z: 15 30.029 2.043 1.005 0.942 1.000 0.429 CB 1.358 15 residues pruned to eliminate duplicates Z: 47 59.361 2.367 1.061 0.619 0.957 0.717 CA 1.676 47 residues pruned to eliminate duplicates Z: 8 9.149 1.723 0.818 0.601 1.000 0.857 CB 1.002 Z: 20 14.657 1.820 0.839 0.520 0.789 0.579 CA 1.248 20 residues pruned to eliminate duplicates Z: 34 37.237 2.082 1.000 0.713 0.848 0.576 CB 1.513 34 residues pruned to eliminate duplicates Z: 13 12.972 2.000 0.692 0.623 0.833 0.833 CB 1.183 13 residues pruned to eliminate duplicates Z: 9 6.364 1.725 0.161 0.542 0.875 0.750 CB 1.233 7 residues pruned to eliminate duplicates Z: 43 46.400 2.259 1.003 0.628 0.881 0.595 CB 1.593 43 residues pruned to eliminate duplicates Z: 64 58.997 2.238 0.851 0.616 0.968 0.794 CB 1.661 72 residues pruned to eliminate duplicates Z: 7 14.568 2.054 0.728 0.779 1.000 0.667 CA 1.310 7 residues pruned to eliminate duplicates Z: 6 6.946 1.792 0.404 0.276 1.000 0.400 CB 1.592 6 residues pruned to eliminate duplicates Z: 35 32.787 2.085 0.902 0.710 0.824 0.676 CB 1.423 35 residues pruned to eliminate duplicates Z: 8 4.198 1.441 0.348 0.321 1.000 0.286 C 0.995 Z: 6 3.032 1.357 0.558 0.484 0.800 0.600 C 0.814 Z: 12 8.201 1.668 0.330 0.731 0.909 0.727 CB 0.996 12 residues pruned to eliminate duplicates Z: 64 63.439 2.333 0.896 0.598 0.952 0.667 CA 1.728 64 residues pruned to eliminate duplicates Z: 7 3.565 1.653 0.119 0.750 0.500 0.500 CA 1.260 7 residues pruned to eliminate duplicates Z: 67 60.175 2.270 0.859 0.586 0.939 0.742 CB 1.721 67 residues pruned to eliminate duplicates Z: 41 36.145 2.211 0.854 0.462 0.925 0.675 CB 1.567 41 residues pruned to eliminate duplicates Z: 37 35.547 2.121 0.697 0.638 0.944 0.778 CB 1.532 37 residues pruned to eliminate duplicates Z: 16 21.069 2.109 0.903 0.533 0.867 0.600 CB 1.514 16 residues pruned to eliminate duplicates Z: 37 36.224 2.035 1.121 0.713 0.889 0.778 CB 1.298 37 residues pruned to eliminate duplicates Z: 109 76.254 2.257 0.924 0.621 0.935 0.694 CB 1.613 109 residues pruned to eliminate duplicates Z: 8 3.171 1.792 -0.059 0.544 0.714 0.714 CB 0.953 8 residues pruned to eliminate duplicates Z: 11 20.472 1.987 1.168 0.738 1.000 0.700 CB 1.213 11 residues pruned to eliminate duplicates Z: 7 8.342 1.801 0.920 0.682 1.000 0.833 CB 0.833 Z: 6 2.189 1.631 0.822 0.412 0.600 0.400 CA 0.602 6 residues pruned to eliminate duplicates Z: 92 58.466 2.146 0.895 0.590 0.912 0.637 CB 1.517 101 residues pruned to eliminate duplicates Z: 9 6.349 1.741 0.314 0.462 0.750 0.500 C 1.359 9 residues pruned to eliminate duplicates Z: 51 55.067 2.286 0.803 0.641 0.980 0.780 CB 1.690 51 residues pruned to eliminate duplicates Z: 19 22.706 2.107 0.755 0.537 1.000 0.778 CA 1.395 19 residues pruned to eliminate duplicates Z: 19 25.348 2.103 0.938 0.575 0.944 0.667 CB 1.444 19 residues pruned to eliminate duplicates Z: 26 40.946 2.135 1.049 0.727 0.960 0.640 CA 1.589 26 residues pruned to eliminate duplicates Z: 10 16.424 2.020 0.580 0.869 0.889 0.778 CA 1.409 10 residues pruned to eliminate duplicates Z: 16 29.405 1.982 1.298 0.664 0.933 0.800 CB 1.534 16 residues pruned to eliminate duplicates Z: 9 4.906 1.665 0.735 0.375 0.625 0.500 C 1.098 9 residues pruned to eliminate duplicates 7 0.564 1.195 0.008 0.252 0.500 0.333 CB 0.508 ? Z: 56 60.404 2.303 0.872 0.630 0.982 0.709 CA 1.703 56 residues pruned to eliminate duplicates Z: 11 24.888 1.975 1.212 0.751 1.000 0.900 CA 1.440 11 residues pruned to eliminate duplicates Z: 7 4.397 1.553 -0.039 0.620 1.000 0.667 CB 1.074 7 residues pruned to eliminate duplicates Z: 27 40.360 2.250 0.973 0.588 0.962 0.769 CB 1.704 27 residues pruned to eliminate duplicates Z: 8 12.252 1.787 0.960 0.764 0.857 0.857 C 1.221 8 residues pruned to eliminate duplicates Z: 6 2.617 1.594 -0.129 0.544 0.800 0.600 CB 1.009 6 residues pruned to eliminate duplicates Z: 15 25.658 1.962 1.200 0.647 0.929 0.714 CB 1.491 15 residues pruned to eliminate duplicates Z: 14 35.399 2.206 1.013 0.945 1.000 1.000 CB 1.530 14 residues pruned to eliminate duplicates Z: 7 3.303 1.208 0.259 0.409 1.000 0.667 N 0.976 Z: 10 20.441 1.889 1.003 0.858 1.000 0.889 CA 1.326 10 residues pruned to eliminate duplicates Z: 7 4.739 1.733 0.164 0.446 0.833 0.500 CA 1.216 Z: 28 11.983 1.749 0.512 0.308 0.889 0.444 CB 1.214 28 residues pruned to eliminate duplicates Z: 50 52.962 2.323 0.955 0.592 0.898 0.633 CB 1.699 50 residues pruned to eliminate duplicates Z: 10 6.948 1.629 -0.105 0.775 1.000 0.778 CB 1.245 10 residues pruned to eliminate duplicates Z: 11 11.153 1.711 0.521 0.835 1.000 0.800 CB 1.015 11 residues pruned to eliminate duplicates Z: 62 56.065 2.251 0.738 0.607 0.967 0.738 CB 1.715 62 residues pruned to eliminate duplicates Z: 17 24.693 2.154 1.063 0.539 0.875 0.625 CB 1.529 17 residues pruned to eliminate duplicates Z: 16 27.614 2.005 1.116 0.847 0.867 0.600 CB 1.440 16 residues pruned to eliminate duplicates Z: 6 6.794 1.412 0.720 0.767 1.000 0.600 CA 0.987 Z: 88 59.611 2.207 0.945 0.580 0.920 0.609 CB 1.499 88 residues pruned to eliminate duplicates Z: 24 24.725 2.164 1.026 0.467 0.870 0.696 CB 1.398 24 residues pruned to eliminate duplicates Z: 10 12.850 2.018 1.093 0.505 0.778 0.556 CB 1.298 10 residues pruned to eliminate duplicates Z: 21 29.329 2.325 1.065 0.400 0.950 0.750 CB 1.598 21 residues pruned to eliminate duplicates Z: 11 28.098 2.080 1.166 0.780 1.000 0.800 CB 1.540 11 residues pruned to eliminate duplicates Z: 22 30.855 2.356 1.019 0.460 0.905 0.762 CB 1.630 22 residues pruned to eliminate duplicates Z: 13 22.284 1.956 0.784 0.765 1.000 0.917 CB 1.457 13 residues pruned to eliminate duplicates Z: 52 42.126 2.121 0.686 0.636 0.980 0.569 CB 1.482 52 residues pruned to eliminate duplicates Z: 34 48.841 2.254 0.935 0.724 0.970 0.879 CB 1.642 34 residues pruned to eliminate duplicates Z: 55 57.346 2.278 0.850 0.648 0.981 0.667 CB 1.643 55 residues pruned to eliminate duplicates Z: 23 28.801 2.116 0.991 0.673 0.909 0.727 CB 1.367 23 residues pruned to eliminate duplicates Z: 35 43.618 2.097 0.911 0.717 0.971 0.794 CB 1.580 35 residues pruned to eliminate duplicates Z: 30 43.559 2.304 0.922 0.705 0.931 0.724 CA 1.628 30 residues pruned to eliminate duplicates Z: 40 44.902 2.181 0.862 0.668 0.949 0.641 CB 1.598 40 residues pruned to eliminate duplicates Z: 31 43.556 2.221 1.176 0.577 0.967 0.800 CA 1.581 31 residues pruned to eliminate duplicates Z: 29 39.685 2.239 0.977 0.538 0.964 0.607 CB 1.693 29 residues pruned to eliminate duplicates Z: 6 5.079 1.519 0.655 0.504 0.800 0.400 N 1.125 Z: 6 3.340 1.460 0.459 0.290 0.800 0.400 CB 1.109 Z: 11 13.623 2.073 0.132 0.857 1.000 1.000 CB 1.353 11 residues pruned to eliminate duplicates Z: 28 38.798 2.104 0.944 0.687 0.926 0.481 CB 1.661 28 residues pruned to eliminate duplicates Z: 17 9.208 1.774 0.434 0.546 0.938 0.812 CB 0.923 9 residues pruned to eliminate duplicates Z: 8 12.232 2.042 0.283 0.834 1.000 0.857 CA 1.323 8 residues pruned to eliminate duplicates Z: 14 26.873 2.187 0.465 0.928 1.000 0.923 CA 1.628 14 residues pruned to eliminate duplicates Z: 38 47.937 2.199 0.908 0.649 0.973 0.730 CB 1.679 38 residues pruned to eliminate duplicates Z: 18 15.042 1.906 0.932 0.609 0.824 0.588 CB 1.085 18 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 21 17.721 2.014 0.736 0.445 0.850 0.400 CA 1.411 22 residues pruned to eliminate duplicates Z: 11 13.028 1.877 0.406 0.754 0.900 0.800 CB 1.383 11 residues pruned to eliminate duplicates Z: 19 19.449 2.069 0.821 0.467 0.889 0.556 CB 1.415 20 residues pruned to eliminate duplicates Z: 13 15.904 1.816 0.786 0.756 0.917 0.500 CB 1.229 13 residues pruned to eliminate duplicates Z: 46 30.959 2.000 0.982 0.580 0.889 0.422 CB 1.213 46 residues pruned to eliminate duplicates Z: 28 23.193 2.056 0.837 0.621 0.852 0.593 CB 1.238 28 residues pruned to eliminate duplicates Z: 13 11.038 1.945 0.385 0.544 0.750 0.417 CB 1.511 13 residues pruned to eliminate duplicates Z: 48 49.160 2.223 0.909 0.566 0.957 0.596 CB 1.656 48 residues pruned to eliminate duplicates Z: 49 47.925 2.226 0.861 0.536 0.979 0.562 CB 1.646 19 residues pruned to eliminate duplicates Z: 9 15.074 1.982 0.768 0.624 1.000 0.375 CA 1.353 9 residues pruned to eliminate duplicates Z: 46 51.305 2.278 0.848 0.597 0.956 0.578 CB 1.733 46 residues pruned to eliminate duplicates Z: 59 60.042 2.256 0.942 0.608 0.983 0.638 CB 1.653 59 residues pruned to eliminate duplicates Z: 63 63.197 2.320 0.988 0.597 0.968 0.548 CB 1.640 63 residues pruned to eliminate duplicates Z: 61 66.691 2.301 1.114 0.609 0.983 0.667 CB 1.624 61 residues pruned to eliminate duplicates Z: 78 63.210 2.226 1.063 0.576 0.909 0.688 CB 1.603 78 residues pruned to eliminate duplicates Z: 60 64.202 2.339 0.997 0.615 0.949 0.695 CB 1.691 60 residues pruned to eliminate duplicates Z: 68 62.979 2.284 1.050 0.567 0.955 0.687 CB 1.613 68 residues pruned to eliminate duplicates Z: 65 63.046 2.311 1.002 0.601 0.938 0.719 CB 1.650 65 residues pruned to eliminate duplicates Z: 67 64.747 2.288 1.010 0.584 0.970 0.636 CB 1.649 67 residues pruned to eliminate duplicates Z: 58 68.664 2.324 1.055 0.648 0.965 0.737 CB 1.720 58 residues pruned to eliminate duplicates Z: 67 64.037 2.285 1.042 0.576 0.955 0.682 CB 1.645 67 residues pruned to eliminate duplicates Z: 63 65.896 2.351 0.996 0.615 0.952 0.742 CB 1.681 63 residues pruned to eliminate duplicates Z: 55 66.656 2.316 1.045 0.656 0.981 0.704 CB 1.688 55 residues pruned to eliminate duplicates Z: 122 90.375 2.314 1.003 0.619 0.959 0.736 CB 1.653 122 residues pruned to eliminate duplicates Z: 124 87.086 2.303 0.975 0.599 0.951 0.724 CB 1.651 124 residues pruned to eliminate duplicates Z: 63 69.981 2.345 1.105 0.613 0.968 0.677 CB 1.671 63 residues pruned to eliminate duplicates Z: 26 39.708 2.307 0.994 0.513 0.960 0.720 CB 1.775 26 residues pruned to eliminate duplicates Z: 63 69.499 2.332 1.060 0.600 0.984 0.694 CB 1.698 63 residues pruned to eliminate duplicates Z: 125 92.858 2.314 1.036 0.612 0.968 0.710 CB 1.644 125 residues pruned to eliminate duplicates Z: 64 57.329 2.258 0.961 0.570 0.905 0.667 CB 1.684 64 residues pruned to eliminate duplicates Z: 62 63.911 2.290 1.058 0.587 0.967 0.689 CB 1.651 62 residues pruned to eliminate duplicates Z: 66 64.439 2.317 1.044 0.569 0.938 0.538 CB 1.682 66 residues pruned to eliminate duplicates Z: 64 70.229 2.333 1.042 0.609 0.968 0.698 CB 1.730 64 residues pruned to eliminate duplicates Z: 116 84.341 2.307 0.897 0.627 0.974 0.670 CB 1.637 116 residues pruned to eliminate duplicates Z: 77 71.884 2.294 1.035 0.602 0.961 0.684 CB 1.669 77 residues pruned to eliminate duplicates Z: 48 54.609 2.214 0.902 0.643 1.000 0.702 CB 1.655 48 residues pruned to eliminate duplicates Z: 65 67.053 2.309 1.023 0.606 0.969 0.797 CB 1.675 65 residues pruned to eliminate duplicates Z: 68 59.250 2.246 0.871 0.587 0.955 0.627 CB 1.658 68 residues pruned to eliminate duplicates Z: 67 59.678 2.276 0.844 0.594 0.955 0.727 CB 1.676 67 residues pruned to eliminate duplicates Z: 66 56.582 2.280 0.862 0.579 0.923 0.615 CB 1.660 66 residues pruned to eliminate duplicates Z: 67 53.670 2.214 0.877 0.558 0.924 0.652 CB 1.625 67 residues pruned to eliminate duplicates Z: 66 54.257 2.285 0.835 0.582 0.892 0.708 CB 1.663 66 residues pruned to eliminate duplicates Z: 65 63.269 2.290 0.955 0.619 0.953 0.672 CB 1.657 65 residues pruned to eliminate duplicates Z: 93 69.117 2.232 0.941 0.599 0.924 0.630 CB 1.639 93 residues pruned to eliminate duplicates Z: 70 54.473 2.220 0.834 0.559 0.942 0.681 CB 1.616 70 residues pruned to eliminate duplicates Z: 68 55.405 2.245 0.856 0.565 0.940 0.687 CB 1.623 68 residues pruned to eliminate duplicates Z: 67 53.604 2.253 0.845 0.569 0.924 0.667 CB 1.606 67 residues pruned to eliminate duplicates Z: 59 60.082 2.254 0.882 0.626 0.983 0.724 CB 1.680 59 residues pruned to eliminate duplicates Z: 64 55.483 2.252 0.864 0.589 0.952 0.651 CB 1.604 64 residues pruned to eliminate duplicates Z: 58 57.021 2.278 0.883 0.610 0.965 0.684 CB 1.643 58 residues pruned to eliminate duplicates Z: 69 54.048 2.212 0.922 0.575 0.926 0.691 CB 1.548 69 residues pruned to eliminate duplicates Z: 69 57.912 2.231 0.871 0.579 0.971 0.676 CB 1.607 69 residues pruned to eliminate duplicates Z: 65 59.195 2.290 0.903 0.566 0.953 0.734 CB 1.671 65 residues pruned to eliminate duplicates Z: 68 59.304 2.249 0.845 0.589 0.970 0.687 CB 1.652 68 residues pruned to eliminate duplicates Z: 64 60.722 2.267 0.978 0.598 0.937 0.619 CB 1.660 64 residues pruned to eliminate duplicates Z: 63 59.550 2.278 0.907 0.588 0.968 0.677 CB 1.654 63 residues pruned to eliminate duplicates Z: 65 58.064 2.258 0.962 0.573 0.953 0.609 CB 1.601 65 residues pruned to eliminate duplicates Z: 62 59.229 2.246 0.875 0.604 0.984 0.672 CB 1.659 62 residues pruned to eliminate duplicates Z: 134 89.120 2.281 1.022 0.587 0.932 0.692 CB 1.654 149 residues pruned to eliminate duplicates Z: 13 15.056 1.975 0.264 0.816 0.917 0.583 CA 1.444 Z: 11 13.908 2.089 0.019 0.828 1.000 0.600 CB 1.555 12 residues pruned to eliminate duplicates Z: 16 22.435 2.195 0.236 0.822 1.000 0.800 CA 1.614 28 residues pruned to eliminate duplicates Z: 58 55.968 2.256 0.842 0.617 0.982 0.684 CB 1.625 58 residues pruned to eliminate duplicates Z: 70 59.151 2.225 0.908 0.570 0.971 0.594 CB 1.615 70 residues pruned to eliminate duplicates Z: 62 59.248 2.279 0.907 0.607 0.951 0.623 CB 1.658 63 residues pruned to eliminate duplicates Z: 16 25.254 2.242 0.583 0.765 0.867 0.533 CA 1.675 16 residues pruned to eliminate duplicates Z: 64 59.252 2.242 0.925 0.589 0.968 0.603 CB 1.640 64 residues pruned to eliminate duplicates Z: 67 57.208 2.271 0.868 0.584 0.909 0.652 CB 1.684 67 residues pruned to eliminate duplicates Z: 46 43.541 2.210 0.924 0.618 0.867 0.667 CB 1.576 46 residues pruned to eliminate duplicates Z: 66 51.822 2.105 0.876 0.656 0.892 0.615 CB 1.578 64 residues pruned to eliminate duplicates Z: 6 3.042 1.724 0.516 0.186 0.600 0.200 CA 1.266 6 residues pruned to eliminate duplicates Z: 36 37.626 2.198 1.000 0.578 0.829 0.400 CB 1.619 36 residues pruned to eliminate duplicates Z: 37 39.502 2.188 1.127 0.669 0.778 0.528 CB 1.555 37 residues pruned to eliminate duplicates Z: 36 41.127 2.170 1.049 0.679 0.857 0.514 CB 1.548 36 residues pruned to eliminate duplicates Z: 37 39.158 2.199 0.938 0.646 0.861 0.472 CB 1.552 37 residues pruned to eliminate duplicates Z: 25 35.716 2.168 1.068 0.660 0.917 0.458 CB 1.529 25 residues pruned to eliminate duplicates Z: 35 43.938 2.258 1.051 0.692 0.882 0.676 CB 1.547 35 residues pruned to eliminate duplicates Z: 37 42.196 2.184 1.044 0.657 0.889 0.583 CB 1.532 37 residues pruned to eliminate duplicates Z: 44 36.029 2.168 1.018 0.553 0.814 0.512 CB 1.466 44 residues pruned to eliminate duplicates Z: 35 45.972 2.185 1.124 0.700 0.882 0.529 CB 1.604 35 residues pruned to eliminate duplicates Z: 26 35.844 2.227 1.126 0.604 0.840 0.520 CB 1.633 26 residues pruned to eliminate duplicates Z: 35 35.249 2.111 0.835 0.667 0.912 0.559 CB 1.467 35 residues pruned to eliminate duplicates Z: 28 35.420 2.185 1.032 0.612 0.852 0.519 CB 1.621 28 residues pruned to eliminate duplicates Z: 55 48.437 2.244 1.004 0.556 0.870 0.556 CB 1.594 55 residues pruned to eliminate duplicates Z: 52 46.202 2.238 0.899 0.584 0.863 0.529 CB 1.628 52 residues pruned to eliminate duplicates Z: 36 44.725 2.202 1.045 0.654 0.914 0.571 CB 1.591 36 residues pruned to eliminate duplicates Z: 38 41.958 2.176 1.020 0.639 0.865 0.595 CB 1.593 38 residues pruned to eliminate duplicates Z: 11 15.694 2.033 0.703 0.688 0.900 0.500 CB 1.341 11 residues pruned to eliminate duplicates Z: 12 14.603 2.032 0.621 0.646 0.818 0.455 CB 1.425 12 residues pruned to eliminate duplicates Z: 19 13.841 1.937 0.622 0.440 0.889 0.333 CB 1.243 19 residues pruned to eliminate duplicates Z: 21 22.870 2.041 0.934 0.610 0.800 0.400 CB 1.458 21 residues pruned to eliminate duplicates Z: 19 14.846 1.959 0.673 0.467 0.833 0.333 CB 1.325 19 residues pruned to eliminate duplicates Z: 20 13.014 1.916 0.645 0.521 0.789 0.421 CB 1.174 20 residues pruned to eliminate duplicates Z: 37 41.274 2.161 0.946 0.674 0.861 0.611 CB 1.618 37 residues pruned to eliminate duplicates Z: 44 28.566 1.993 0.878 0.569 0.814 0.465 CB 1.339 44 residues pruned to eliminate duplicates Z: 32 22.703 1.988 0.836 0.451 0.871 0.258 CB 1.348 32 residues pruned to eliminate duplicates Z: 21 23.190 2.049 0.976 0.539 0.900 0.350 CB 1.370 21 residues pruned to eliminate duplicates Z: 70 55.598 2.246 0.839 0.558 0.942 0.667 CB 1.627 70 residues pruned to eliminate duplicates Z: 7 4.774 1.347 0.846 0.454 1.000 0.833 CA 0.821 7 residues pruned to eliminate duplicates Z: 8 9.951 1.854 0.788 0.368 0.857 0.714 CA 1.525 8 residues pruned to eliminate duplicates Z: 68 56.843 2.288 0.805 0.573 0.955 0.701 CB 1.641 68 residues pruned to eliminate duplicates Z: 12 8.500 1.892 0.870 0.319 0.727 0.182 CB 1.217 12 residues pruned to eliminate duplicates Z: 12 7.549 1.856 0.809 0.271 0.818 0.364 CB 1.075 12 residues pruned to eliminate duplicates Z: 9 8.374 1.743 1.048 0.302 0.750 0.375 CB 1.379 9 residues pruned to eliminate duplicates Z: 67 53.923 2.256 0.804 0.567 0.924 0.652 CB 1.654 67 residues pruned to eliminate duplicates Z: 67 57.979 2.274 0.789 0.589 0.985 0.652 CB 1.636 67 residues pruned to eliminate duplicates Z: 71 56.437 2.231 0.824 0.559 0.943 0.657 CB 1.660 70 residues pruned to eliminate duplicates Z: 6 3.375 1.862 0.833 0.253 0.800 0.400 CA 0.734 Z: 7 4.731 1.468 0.730 0.389 0.833 0.500 CA 1.026 13 residues pruned to eliminate duplicates Z: 60 59.658 2.269 0.844 0.616 0.983 0.712 CB 1.692 60 residues pruned to eliminate duplicates Z: 60 60.430 2.269 0.842 0.629 0.983 0.712 CB 1.696 60 residues pruned to eliminate duplicates Z: 67 54.469 2.253 0.772 0.574 0.970 0.636 CB 1.613 67 residues pruned to eliminate duplicates Z: 66 60.442 2.282 0.888 0.597 0.969 0.662 CB 1.637 66 residues pruned to eliminate duplicates Z: 65 58.119 2.257 0.868 0.607 0.969 0.672 CB 1.606 65 residues pruned to eliminate duplicates Z: 129 88.930 2.303 0.928 0.604 0.961 0.703 CB 1.669 129 residues pruned to eliminate duplicates Z: 62 53.562 2.222 0.765 0.596 0.984 0.656 CB 1.621 62 residues pruned to eliminate duplicates Z: 67 62.346 2.257 0.897 0.604 0.985 0.636 CB 1.648 67 residues pruned to eliminate duplicates Z: 7 11.735 1.972 0.767 0.445 1.000 0.667 CA 1.454 Z: 6 8.161 1.654 1.117 0.427 1.000 0.600 CB 1.125 6 residues pruned to eliminate duplicates Z: 63 57.595 2.267 0.853 0.601 0.968 0.677 CB 1.635 70 residues pruned to eliminate duplicates Z: 62 63.291 2.315 0.960 0.630 0.951 0.639 CB 1.662 62 residues pruned to eliminate duplicates Z: 107 73.995 2.271 0.889 0.607 0.934 0.736 CB 1.621 68 residues pruned to eliminate duplicates Z: 6 3.735 1.570 0.423 0.387 1.000 0.400 CB 0.843 6 residues pruned to eliminate duplicates Z: 9 5.913 1.898 0.899 0.334 0.750 0.625 CB 0.927 9 residues pruned to eliminate duplicates Z: 68 58.026 2.245 0.874 0.587 0.940 0.746 CB 1.649 44 residues pruned to eliminate duplicates Z: 6 3.958 1.948 0.291 0.253 0.800 0.400 CB 1.168 Z: 6 2.457 1.656 1.045 0.345 0.800 0.400 CB 0.481 5 residues pruned to eliminate duplicates Z: 6 4.135 1.594 0.604 0.233 1.000 0.200 C 0.987 5 residues pruned to eliminate duplicates Z: 6 4.907 1.880 0.950 0.184 1.000 0.400 CA 0.875 5 residues pruned to eliminate duplicates Z: 6 7.458 1.834 1.149 0.367 0.800 0.600 CA 1.220 6 residues pruned to eliminate duplicates Z: 61 62.987 2.313 0.940 0.593 0.983 0.700 CB 1.686 70 residues pruned to eliminate duplicates Z: 126 86.701 2.310 0.912 0.616 0.960 0.720 CB 1.639 129 residues pruned to eliminate duplicates Z: 6 8.445 1.716 0.702 0.451 1.000 1.000 N 1.359 Z: 8 5.196 1.626 0.309 0.397 0.857 0.714 CA 1.200 14 residues pruned to eliminate duplicates Z: 128 88.339 2.310 0.950 0.604 0.953 0.732 CB 1.654 128 residues pruned to eliminate duplicates Z: 17 24.828 2.094 0.472 0.753 1.000 0.812 CA 1.607 Z: 18 24.149 2.084 0.495 0.748 1.000 0.824 CA 1.506 35 residues pruned to eliminate duplicates Z: 66 62.948 2.290 1.014 0.575 0.938 0.646 CB 1.679 66 residues pruned to eliminate duplicates Z: 65 63.959 2.307 0.962 0.595 0.969 0.656 CB 1.666 65 residues pruned to eliminate duplicates Z: 60 68.277 2.353 1.044 0.611 0.966 0.678 CB 1.722 60 residues pruned to eliminate duplicates Z: 65 65.579 2.322 0.970 0.611 0.969 0.734 CB 1.665 65 residues pruned to eliminate duplicates Z: 64 64.079 2.307 1.004 0.575 0.937 0.667 CB 1.734 64 residues pruned to eliminate duplicates Z: 121 91.648 2.307 1.024 0.632 0.950 0.742 CB 1.666 121 residues pruned to eliminate duplicates Z: 65 62.904 2.298 1.010 0.607 0.938 0.766 CB 1.641 65 residues pruned to eliminate duplicates Z: 65 64.202 2.302 1.022 0.602 0.938 0.750 CB 1.669 65 residues pruned to eliminate duplicates Z: 26 41.774 2.204 1.038 0.770 0.840 0.600 CB 1.744 26 residues pruned to eliminate duplicates Z: 36 45.871 2.152 1.018 0.696 0.914 0.571 CB 1.632 36 residues pruned to eliminate duplicates Z: 29 41.677 2.133 1.245 0.645 0.893 0.536 CB 1.609 29 residues pruned to eliminate duplicates Z: 36 29.570 1.971 1.091 0.571 0.829 0.600 CB 1.366 36 residues pruned to eliminate duplicates Z: 43 31.616 2.047 0.920 0.577 0.786 0.452 CB 1.466 43 residues pruned to eliminate duplicates Z: 20 25.803 2.008 1.100 0.532 0.895 0.263 CB 1.521 20 residues pruned to eliminate duplicates Z: 15 6.445 1.765 0.363 0.295 0.786 0.429 CA 1.146 15 residues pruned to eliminate duplicates Z: 13 10.817 1.983 0.653 0.271 0.750 0.250 CA 1.647 13 residues pruned to eliminate duplicates Z: 13 9.038 1.881 0.487 0.305 0.833 0.500 CB 1.390 22 residues pruned to eliminate duplicates Z: 43 30.819 2.034 0.906 0.516 0.833 0.548 CB 1.449 43 residues pruned to eliminate duplicates Z: 11 9.557 2.133 0.239 0.333 0.900 0.400 CB 1.524 11 residues pruned to eliminate duplicates Z: 11 7.778 1.975 0.378 0.370 0.800 0.500 CB 1.298 11 residues pruned to eliminate duplicates Z: 13 7.501 1.962 0.335 0.361 0.750 0.250 CB 1.280 13 residues pruned to eliminate duplicates Z: 6 7.489 1.954 0.832 0.299 0.800 0.000 CA 1.464 Z: 16 30.009 2.121 0.845 0.909 1.000 0.800 CB 1.405 16 residues pruned to eliminate duplicates Z: 45 44.978 2.155 0.936 0.596 0.932 0.705 CB 1.592 51 residues pruned to eliminate duplicates Z: 58 55.413 2.225 0.977 0.604 0.965 0.632 CB 1.567 58 residues pruned to eliminate duplicates Z: 59 59.439 2.229 1.010 0.644 0.983 0.759 CB 1.550 59 residues pruned to eliminate duplicates Z: 102 62.629 2.159 0.870 0.590 0.911 0.663 CB 1.555 102 residues pruned to eliminate duplicates Z: 55 60.550 2.243 1.042 0.674 0.981 0.759 CB 1.561 55 residues pruned to eliminate duplicates Z: 14 16.565 2.087 0.399 0.810 0.923 0.615 CB 1.301 14 residues pruned to eliminate duplicates Z: 69 52.055 2.168 0.927 0.567 0.941 0.662 CB 1.505 69 residues pruned to eliminate duplicates Z: 49 48.554 2.220 0.964 0.594 0.938 0.792 CB 1.567 21 residues pruned to eliminate duplicates Z: 15 23.088 2.187 0.590 0.804 0.929 0.643 CB 1.465 8 residues pruned to eliminate duplicates Z: 17 20.888 2.058 0.619 0.720 0.875 0.562 CB 1.468 17 residues pruned to eliminate duplicates Z: 59 58.847 2.229 0.995 0.632 0.983 0.879 CB 1.562 43 residues pruned to eliminate duplicates Z: 10 17.409 2.062 0.658 0.780 1.000 0.556 CB 1.326 10 residues pruned to eliminate duplicates Z: 70 61.298 2.227 1.030 0.577 0.971 0.696 CB 1.560 69 residues pruned to eliminate duplicates Z: 16 23.206 2.129 0.674 0.723 1.000 0.600 CB 1.375 16 residues pruned to eliminate duplicates Z: 65 59.748 2.224 1.033 0.604 0.953 0.703 CB 1.569 65 residues pruned to eliminate duplicates Z: 65 54.726 2.191 0.920 0.594 0.969 0.656 CB 1.534 65 residues pruned to eliminate duplicates Z: 61 55.566 2.184 0.969 0.628 0.967 0.750 CB 1.530 61 residues pruned to eliminate duplicates Z: 54 41.029 2.047 0.744 0.629 0.981 0.679 CB 1.425 54 residues pruned to eliminate duplicates Z: 68 52.221 2.149 0.865 0.602 0.955 0.672 CB 1.513 68 residues pruned to eliminate duplicates Z: 44 47.828 2.224 0.991 0.663 0.953 0.744 CB 1.485 44 residues pruned to eliminate duplicates Z: 46 50.197 2.186 1.040 0.633 0.978 0.689 CB 1.514 46 residues pruned to eliminate duplicates Z: 43 51.999 2.264 1.070 0.656 0.976 0.714 CB 1.518 43 residues pruned to eliminate duplicates Z: 45 36.157 2.154 0.655 0.605 0.955 0.795 CB 1.449 22 residues pruned to eliminate duplicates Z: 7 4.880 1.612 0.959 0.306 0.833 0.333 CB 0.940 7 residues pruned to eliminate duplicates Z: 62 53.690 2.192 0.853 0.596 0.967 0.705 CB 1.597 40 residues pruned to eliminate duplicates Z: 6 6.983 1.823 0.740 0.398 1.000 0.800 CA 1.097 6 residues pruned to eliminate duplicates Z: 55 54.393 2.228 0.847 0.670 0.981 0.741 CB 1.566 55 residues pruned to eliminate duplicates Z: 56 49.033 2.210 0.736 0.648 0.964 0.764 CB 1.557 56 residues pruned to eliminate duplicates Z: 42 41.936 2.204 0.800 0.649 0.927 0.732 CB 1.550 42 residues pruned to eliminate duplicates Z: 62 55.348 2.205 0.902 0.616 0.951 0.787 CB 1.592 62 residues pruned to eliminate duplicates Z: 56 56.145 2.237 0.935 0.661 0.982 0.782 CB 1.535 58 residues pruned to eliminate duplicates Z: 17 24.507 2.091 0.704 0.751 0.938 0.750 CA 1.467 17 residues pruned to eliminate duplicates Z: 45 39.901 2.124 0.974 0.611 0.841 0.750 CB 1.536 45 residues pruned to eliminate duplicates Z: 61 51.784 2.194 0.856 0.635 0.933 0.767 CB 1.550 61 residues pruned to eliminate duplicates Z: 63 51.238 2.157 0.924 0.593 0.935 0.710 CB 1.532 63 residues pruned to eliminate duplicates Z: 62 53.975 2.185 0.956 0.614 0.951 0.770 CB 1.527 61 residues pruned to eliminate duplicates Z: 15 27.504 2.156 0.670 0.931 1.000 0.857 CB 1.426 15 residues pruned to eliminate duplicates Z: 63 52.495 2.186 0.904 0.607 0.919 0.726 CB 1.574 63 residues pruned to eliminate duplicates Z: 13 29.170 2.130 1.365 0.692 0.917 0.750 CB 1.530 13 residues pruned to eliminate duplicates Z: 26 53.383 2.241 1.373 0.740 0.920 0.720 CB 1.760 27 residues pruned to eliminate duplicates Z: 6 2.594 1.494 1.158 0.443 0.600 0.600 CB 0.636 6 residues pruned to eliminate duplicates Z: 36 44.423 2.126 1.062 0.682 0.914 0.457 CB 1.585 36 residues pruned to eliminate duplicates Z: 27 43.975 2.116 1.111 0.700 0.962 0.538 CB 1.674 27 residues pruned to eliminate duplicates Z: 38 40.406 2.078 0.920 0.677 0.919 0.541 CB 1.539 38 residues pruned to eliminate duplicates Z: 31 35.026 2.119 0.897 0.659 0.867 0.533 CA 1.584 31 residues pruned to eliminate duplicates Z: 36 41.551 2.121 1.112 0.688 0.886 0.600 CB 1.490 36 residues pruned to eliminate duplicates Z: 36 44.872 2.143 1.087 0.686 0.914 0.600 CB 1.564 36 residues pruned to eliminate duplicates Z: 38 41.142 2.063 1.060 0.658 0.892 0.514 CB 1.542 38 residues pruned to eliminate duplicates Z: 30 25.685 1.951 0.880 0.586 0.897 0.621 CB 1.335 30 residues pruned to eliminate duplicates Z: 40 43.130 2.050 1.006 0.665 0.923 0.615 CB 1.561 40 residues pruned to eliminate duplicates Z: 39 37.767 2.088 0.993 0.630 0.842 0.605 CB 1.547 39 residues pruned to eliminate duplicates Z: 84 69.240 2.161 1.059 0.647 0.940 0.699 CB 1.585 64 residues pruned to eliminate duplicates Z: 14 36.961 2.159 1.090 0.831 1.000 0.692 CA 1.706 14 residues pruned to eliminate duplicates Z: 14 34.059 2.172 1.018 0.824 1.000 0.769 CA 1.628 14 residues pruned to eliminate duplicates Z: 14 24.253 2.183 1.419 0.619 0.769 0.692 CB 1.480 14 residues pruned to eliminate duplicates Z: 20 18.717 2.040 0.951 0.527 0.789 0.579 CB 1.331 20 residues pruned to eliminate duplicates Z: 37 32.492 2.060 1.016 0.688 0.833 0.639 CB 1.317 37 residues pruned to eliminate duplicates Z: 37 35.250 2.103 0.980 0.665 0.889 0.583 CB 1.362 37 residues pruned to eliminate duplicates Z: 27 33.014 2.136 1.220 0.685 0.808 0.538 CB 1.427 27 residues pruned to eliminate duplicates Z: 12 31.646 2.284 1.371 0.642 0.909 0.818 CA 1.698 12 residues pruned to eliminate duplicates Z: 46 41.684 2.211 1.004 0.507 0.867 0.644 CB 1.607 46 residues pruned to eliminate duplicates Z: 25 39.682 2.229 1.115 0.728 0.917 0.750 CB 1.526 25 residues pruned to eliminate duplicates Z: 28 31.936 2.120 1.134 0.668 0.815 0.556 CB 1.427 28 residues pruned to eliminate duplicates Z: 27 36.384 2.159 1.225 0.709 0.885 0.615 CB 1.389 27 residues pruned to eliminate duplicates Z: 33 23.916 1.979 0.831 0.579 0.875 0.594 CB 1.236 33 residues pruned to eliminate duplicates Z: 26 35.752 2.156 1.119 0.724 0.920 0.680 CB 1.390 26 residues pruned to eliminate duplicates Z: 17 23.000 2.147 0.990 0.497 0.875 0.562 CB 1.542 17 residues pruned to eliminate duplicates Z: 16 19.569 2.161 1.050 0.579 0.800 0.667 CB 1.321 16 residues pruned to eliminate duplicates Z: 60 44.842 2.166 1.027 0.623 0.847 0.627 CB 1.397 60 residues pruned to eliminate duplicates Z: 26 28.784 2.146 0.971 0.535 0.840 0.680 CB 1.566 26 residues pruned to eliminate duplicates Z: 31 52.191 2.339 1.114 0.665 0.967 0.600 CB 1.711 31 residues pruned to eliminate duplicates Z: 59 51.102 2.255 1.104 0.585 0.845 0.517 CB 1.543 59 residues pruned to eliminate duplicates Z: 23 28.562 2.108 0.981 0.496 0.909 0.591 CB 1.611 23 residues pruned to eliminate duplicates Z: 23 29.094 2.086 0.987 0.516 0.864 0.545 CA 1.705 23 residues pruned to eliminate duplicates Z: 20 31.824 2.117 0.956 0.569 0.947 0.737 CB 1.742 20 residues pruned to eliminate duplicates Z: 31 34.536 2.137 1.035 0.578 0.900 0.533 CB 1.495 31 residues pruned to eliminate duplicates Z: 37 50.728 2.324 1.155 0.641 0.889 0.694 CB 1.665 37 residues pruned to eliminate duplicates Z: 44 53.962 2.260 1.081 0.635 0.930 0.535 CB 1.656 44 residues pruned to eliminate duplicates Z: 43 45.104 2.271 1.064 0.605 0.857 0.524 CB 1.567 43 residues pruned to eliminate duplicates Z: 33 50.355 2.275 1.188 0.659 0.938 0.531 CB 1.646 33 residues pruned to eliminate duplicates Z: 61 54.001 2.241 1.050 0.608 0.850 0.583 CB 1.611 62 residues pruned to eliminate duplicates Z: 6 7.368 1.700 0.805 0.437 1.000 1.000 CA 1.146 6 residues pruned to eliminate duplicates Z: 20 25.252 2.225 0.988 0.517 0.789 0.684 CB 1.631 20 residues pruned to eliminate duplicates Z: 18 33.370 2.241 1.172 0.596 0.941 0.765 CA 1.612 18 residues pruned to eliminate duplicates Z: 32 40.564 2.243 1.115 0.576 0.903 0.581 CB 1.580 32 residues pruned to eliminate duplicates Z: 31 47.576 2.323 1.117 0.629 0.933 0.667 CB 1.676 31 residues pruned to eliminate duplicates Z: 33 42.679 2.245 0.968 0.574 0.938 0.562 CB 1.695 33 residues pruned to eliminate duplicates Z: 41 47.260 2.220 1.090 0.634 0.925 0.625 CB 1.536 41 residues pruned to eliminate duplicates Z: 25 31.051 2.220 1.056 0.640 0.833 0.500 CB 1.462 25 residues pruned to eliminate duplicates Z: 18 38.069 2.364 1.188 0.680 0.941 0.588 CB 1.607 18 residues pruned to eliminate duplicates Z: 49 39.354 2.200 0.933 0.576 0.896 0.604 CB 1.385 49 residues pruned to eliminate duplicates Z: 41 53.862 2.322 1.189 0.629 0.925 0.550 CB 1.605 41 residues pruned to eliminate duplicates Z: 31 45.381 2.299 1.114 0.642 0.933 0.633 CB 1.599 31 residues pruned to eliminate duplicates Z: 43 42.198 2.168 1.042 0.591 0.857 0.476 CB 1.573 43 residues pruned to eliminate duplicates Z: 22 48.423 2.447 1.365 0.702 0.905 0.524 CB 1.679 22 residues pruned to eliminate duplicates Z: 15 27.157 2.187 1.209 0.698 0.786 0.429 CB 1.597 15 residues pruned to eliminate duplicates Z: 42 52.757 2.291 1.036 0.642 0.927 0.537 CB 1.668 42 residues pruned to eliminate duplicates Z: 45 49.201 2.274 1.049 0.581 0.909 0.659 CB 1.620 45 residues pruned to eliminate duplicates Z: 52 49.876 2.219 1.171 0.593 0.863 0.627 CB 1.537 52 residues pruned to eliminate duplicates Z: 19 31.408 2.261 1.231 0.646 0.833 0.389 CB 1.537 19 residues pruned to eliminate duplicates Z: 74 64.529 2.275 0.996 0.606 0.918 0.658 CB 1.639 59 residues pruned to eliminate duplicates Z: 7 11.945 2.020 0.879 0.715 0.833 0.500 CA 1.269 7 residues pruned to eliminate duplicates Z: 76 68.544 2.339 0.983 0.592 0.933 0.693 CB 1.674 76 residues pruned to eliminate duplicates Z: 12 15.684 2.186 0.993 0.598 0.636 0.455 CB 1.554 12 residues pruned to eliminate duplicates Z: 28 28.544 2.167 0.842 0.590 0.815 0.444 CB 1.549 28 residues pruned to eliminate duplicates Z: 11 20.822 2.102 0.926 0.710 0.900 0.600 CB 1.494 11 residues pruned to eliminate duplicates Z: 12 19.332 2.217 1.060 0.558 0.818 0.545 CB 1.474 12 residues pruned to eliminate duplicates Z: 15 17.774 2.021 0.915 0.569 0.786 0.500 CB 1.461 15 residues pruned to eliminate duplicates Z: 27 18.267 2.082 0.834 0.453 0.731 0.385 CB 1.347 27 residues pruned to eliminate duplicates Z: 11 20.804 2.190 1.161 0.658 0.800 0.600 CB 1.501 11 residues pruned to eliminate duplicates Z: 60 64.638 2.364 0.995 0.598 0.949 0.729 CA 1.712 60 residues pruned to eliminate duplicates Z: 57 64.568 2.363 0.907 0.639 0.964 0.714 CB 1.742 57 residues pruned to eliminate duplicates Z: 59 70.839 2.346 1.027 0.632 0.983 0.707 CA 1.759 59 residues pruned to eliminate duplicates Z: 65 71.094 2.346 1.053 0.581 0.984 0.672 CA 1.735 65 residues pruned to eliminate duplicates Z: 62 71.747 2.385 1.054 0.606 0.967 0.623 CB 1.753 62 residues pruned to eliminate duplicates Z: 66 68.451 2.344 1.053 0.594 0.938 0.677 CB 1.719 66 residues pruned to eliminate duplicates Z: 67 64.368 2.312 1.015 0.584 0.939 0.652 CA 1.670 67 residues pruned to eliminate duplicates Z: 60 70.288 2.343 1.018 0.632 0.983 0.695 CB 1.740 60 residues pruned to eliminate duplicates Z: 66 68.879 2.349 1.025 0.575 0.969 0.646 CA 1.723 66 residues pruned to eliminate duplicates Z: 66 65.728 2.347 0.959 0.567 0.954 0.615 CB 1.743 66 residues pruned to eliminate duplicates Z: 63 69.987 2.383 1.029 0.602 0.952 0.661 CA 1.753 63 residues pruned to eliminate duplicates Z: 67 70.493 2.330 1.097 0.593 0.970 0.697 CB 1.675 67 residues pruned to eliminate duplicates Z: 68 66.027 2.275 0.967 0.591 0.970 0.687 CA 1.704 68 residues pruned to eliminate duplicates Z: 64 70.435 2.361 0.959 0.611 0.984 0.683 CA 1.754 64 residues pruned to eliminate duplicates Z: 65 69.142 2.357 1.002 0.594 0.969 0.703 CB 1.729 65 residues pruned to eliminate duplicates Z: 65 70.945 2.356 1.028 0.592 0.984 0.641 CB 1.726 65 residues pruned to eliminate duplicates Z: 67 69.015 2.328 1.053 0.586 0.955 0.652 CB 1.715 67 residues pruned to eliminate duplicates Z: 55 71.834 2.391 1.000 0.666 0.981 0.667 CA 1.787 55 residues pruned to eliminate duplicates Z: 60 63.643 2.375 0.972 0.608 0.915 0.678 CA 1.743 60 residues pruned to eliminate duplicates Z: 65 64.523 2.355 0.949 0.596 0.953 0.719 CB 1.683 65 residues pruned to eliminate duplicates Z: 67 66.862 2.326 1.026 0.569 0.955 0.682 CA 1.711 67 residues pruned to eliminate duplicates Z: 60 68.216 2.377 0.997 0.607 0.966 0.695 CB 1.750 60 residues pruned to eliminate duplicates Z: 65 69.731 2.377 0.976 0.574 0.984 0.656 CB 1.756 65 residues pruned to eliminate duplicates Z: 65 71.490 2.354 1.105 0.584 0.969 0.656 CB 1.717 65 residues pruned to eliminate duplicates Z: 66 60.414 2.323 0.913 0.570 0.938 0.631 CB 1.679 66 residues pruned to eliminate duplicates Z: 7 2.880 1.644 0.270 0.153 0.667 0.167 C 1.293 7 residues pruned to eliminate duplicates Z: 17 12.910 2.021 0.527 0.391 0.812 0.562 CA 1.445 17 residues pruned to eliminate duplicates Z: 17 16.454 2.133 0.674 0.403 0.875 0.625 CB 1.458 17 residues pruned to eliminate duplicates Z: 15 12.370 2.087 0.660 0.357 0.929 0.429 CB 1.199 15 residues pruned to eliminate duplicates Z: 66 60.013 2.296 0.811 0.588 0.954 0.708 CB 1.726 66 residues pruned to eliminate duplicates Z: 71 52.536 2.231 0.756 0.555 0.929 0.686 CB 1.636 71 residues pruned to eliminate duplicates Z: 65 57.667 2.271 0.767 0.583 0.969 0.672 CB 1.712 65 residues pruned to eliminate duplicates Z: 65 61.644 2.305 0.877 0.571 0.953 0.688 CB 1.746 65 residues pruned to eliminate duplicates Z: 66 60.068 2.267 0.853 0.562 0.969 0.662 CB 1.723 66 residues pruned to eliminate duplicates Z: 66 58.763 2.271 0.828 0.573 0.938 0.631 CB 1.744 66 residues pruned to eliminate duplicates Z: 69 57.888 2.249 0.805 0.576 0.941 0.676 CB 1.707 69 residues pruned to eliminate duplicates Z: 69 55.354 2.267 0.724 0.584 0.941 0.706 CB 1.683 69 residues pruned to eliminate duplicates Z: 63 59.737 2.299 0.771 0.583 0.968 0.661 CB 1.778 63 residues pruned to eliminate duplicates Z: 61 57.380 2.286 0.703 0.600 0.983 0.733 CB 1.760 61 residues pruned to eliminate duplicates Z: 67 57.668 2.260 0.794 0.569 0.955 0.682 CA 1.715 67 residues pruned to eliminate duplicates Z: 66 59.421 2.289 0.780 0.570 0.969 0.631 CB 1.745 66 residues pruned to eliminate duplicates Z: 59 58.757 2.276 0.821 0.618 0.948 0.724 CB 1.755 59 residues pruned to eliminate duplicates Z: 66 56.964 2.289 0.846 0.570 0.892 0.677 CB 1.751 66 residues pruned to eliminate duplicates Z: 63 56.870 2.264 0.854 0.583 0.935 0.726 CB 1.699 63 residues pruned to eliminate duplicates Z: 124 88.146 2.335 0.836 0.583 0.976 0.634 CB 1.754 124 residues pruned to eliminate duplicates Z: 65 57.590 2.294 0.743 0.580 0.938 0.672 CB 1.778 65 residues pruned to eliminate duplicates Z: 63 61.193 2.305 0.819 0.587 0.968 0.645 CB 1.761 63 residues pruned to eliminate duplicates Z: 66 62.360 2.289 0.943 0.576 0.938 0.615 CB 1.722 66 residues pruned to eliminate duplicates Z: 65 61.035 2.301 0.836 0.577 0.953 0.672 CB 1.759 65 residues pruned to eliminate duplicates Z: 65 58.943 2.276 0.769 0.613 0.953 0.719 CB 1.725 65 residues pruned to eliminate duplicates Z: 62 59.675 2.264 0.825 0.587 0.951 0.623 CA 1.789 62 residues pruned to eliminate duplicates Z: 66 64.525 2.299 0.910 0.579 0.954 0.600 CA 1.772 66 residues pruned to eliminate duplicates Z: 103 64.806 2.193 0.885 0.573 0.931 0.647 CB 1.554 103 residues pruned to eliminate duplicates Z: 62 59.247 2.269 0.774 0.597 0.967 0.721 CB 1.777 62 residues pruned to eliminate duplicates Z: 66 59.641 2.292 0.852 0.579 0.954 0.723 CB 1.694 66 residues pruned to eliminate duplicates Z: 60 59.163 2.286 0.861 0.612 0.932 0.695 CB 1.746 60 residues pruned to eliminate duplicates Z: 43 50.207 2.245 0.740 0.674 0.976 0.667 CB 1.731 43 residues pruned to eliminate duplicates Z: 125 96.097 2.342 0.922 0.605 0.968 0.782 CA 1.793 125 residues pruned to eliminate duplicates Z: 67 54.756 2.255 0.781 0.567 0.909 0.621 CB 1.731 67 residues pruned to eliminate duplicates Z: 65 54.697 2.236 0.780 0.566 0.938 0.641 CB 1.719 65 residues pruned to eliminate duplicates Z: 66 61.263 2.302 0.862 0.587 0.923 0.738 CB 1.766 66 residues pruned to eliminate duplicates Z: 41 50.374 2.292 0.877 0.640 0.950 0.775 CB 1.709 41 residues pruned to eliminate duplicates Z: 66 64.725 2.322 0.883 0.586 0.954 0.723 CB 1.773 66 residues pruned to eliminate duplicates Z: 66 62.359 2.290 0.932 0.572 0.938 0.631 CB 1.738 66 residues pruned to eliminate duplicates Z: 57 62.616 2.291 0.823 0.655 1.000 0.768 CB 1.734 57 residues pruned to eliminate duplicates Z: 67 61.154 2.285 0.840 0.590 0.939 0.682 CA 1.749 67 residues pruned to eliminate duplicates Z: 61 63.605 2.285 0.901 0.610 0.983 0.750 CB 1.733 61 residues pruned to eliminate duplicates Z: 62 60.368 2.269 0.884 0.586 0.951 0.656 CB 1.751 62 residues pruned to eliminate duplicates Z: 68 61.152 2.263 0.859 0.561 0.970 0.642 CB 1.726 68 residues pruned to eliminate duplicates Z: 59 69.467 2.314 0.953 0.632 1.000 0.810 CB 1.783 59 residues pruned to eliminate duplicates Z: 125 88.094 2.302 0.954 0.576 0.952 0.669 CB 1.717 125 residues pruned to eliminate duplicates Z: 56 67.951 2.319 0.979 0.637 0.982 0.618 CB 1.789 56 residues pruned to eliminate duplicates Z: 115 90.902 2.333 0.908 0.615 0.965 0.684 CB 1.778 115 residues pruned to eliminate duplicates Z: 24 30.811 2.215 0.746 0.516 0.913 0.739 CB 1.790 24 residues pruned to eliminate duplicates Z: 59 64.691 2.318 0.861 0.618 0.983 0.793 CB 1.792 59 residues pruned to eliminate duplicates Z: 52 46.941 2.151 0.762 0.592 0.961 0.647 CA 1.654 52 residues pruned to eliminate duplicates Z: 56 65.049 2.295 0.884 0.657 1.000 0.727 CA 1.754 56 residues pruned to eliminate duplicates Z: 65 63.369 2.305 0.857 0.599 0.953 0.734 CB 1.767 65 residues pruned to eliminate duplicates Z: 62 60.423 2.270 0.819 0.612 0.967 0.770 CB 1.742 62 residues pruned to eliminate duplicates Z: 66 63.948 2.299 0.932 0.586 0.954 0.662 CB 1.725 66 residues pruned to eliminate duplicates Z: 65 63.653 2.302 0.906 0.582 0.953 0.672 CB 1.759 65 residues pruned to eliminate duplicates Z: 60 66.917 2.302 0.895 0.629 0.983 0.780 CB 1.800 60 residues pruned to eliminate duplicates Z: 65 67.351 2.306 0.942 0.588 0.984 0.688 CB 1.755 65 residues pruned to eliminate duplicates Z: 64 62.759 2.298 0.854 0.594 0.984 0.746 CB 1.724 64 residues pruned to eliminate duplicates Z: 129 92.933 2.300 1.037 0.599 0.938 0.711 CB 1.702 129 residues pruned to eliminate duplicates Z: 86 66.003 2.306 0.806 0.531 0.953 0.647 CB 1.749 86 residues pruned to eliminate duplicates Z: 71 61.466 2.264 0.949 0.578 0.914 0.629 CB 1.690 71 residues pruned to eliminate duplicates Z: 66 58.257 2.245 0.874 0.602 0.908 0.738 CA 1.718 66 residues pruned to eliminate duplicates Z: 10 6.163 1.788 0.906 0.348 0.667 0.333 CA 1.066 10 residues pruned to eliminate duplicates Z: 66 67.904 2.311 1.014 0.604 0.969 0.708 CA 1.691 66 residues pruned to eliminate duplicates Z: 10 6.659 1.894 0.626 0.267 0.667 0.333 CB 1.410 10 residues pruned to eliminate duplicates Z: 8 4.724 2.089 0.740 0.283 0.571 0.429 CA 1.098 8 residues pruned to eliminate duplicates Z: 11 9.354 1.968 1.044 0.236 0.700 0.500 CB 1.427 11 residues pruned to eliminate duplicates Z: 66 67.386 2.353 0.930 0.595 0.969 0.754 CB 1.734 66 residues pruned to eliminate duplicates Z: 64 67.536 2.366 0.896 0.613 0.984 0.746 CA 1.732 64 residues pruned to eliminate duplicates Z: 120 91.166 2.304 0.959 0.601 0.966 0.714 CB 1.740 103 residues pruned to eliminate duplicates Z: 6 4.821 1.826 0.478 0.265 1.000 0.400 CB 1.044 6 residues pruned to eliminate duplicates Z: 64 66.821 2.379 0.874 0.608 0.968 0.762 CB 1.760 64 residues pruned to eliminate duplicates Z: 66 68.319 2.340 0.989 0.593 0.969 0.738 CA 1.719 66 residues pruned to eliminate duplicates Z: 58 64.302 2.347 0.947 0.608 0.965 0.684 CA 1.743 58 residues pruned to eliminate duplicates Z: 67 64.968 2.307 1.013 0.565 0.939 0.667 CB 1.721 68 residues pruned to eliminate duplicates Z: 6 4.633 1.654 0.893 0.430 1.000 1.000 CA 0.712 6 residues pruned to eliminate duplicates Z: 125 91.770 2.317 0.942 0.603 0.944 0.702 CB 1.760 125 residues pruned to eliminate duplicates Z: 6 7.195 1.673 0.718 0.447 1.000 0.600 CA 1.182 6 residues pruned to eliminate duplicates Z: 61 64.509 2.338 0.930 0.594 0.983 0.633 CA 1.717 54 residues pruned to eliminate duplicates Z: 18 26.991 2.167 0.735 0.796 1.000 0.882 CA 1.344 18 residues pruned to eliminate duplicates Z: 64 69.838 2.370 0.958 0.604 0.984 0.698 CA 1.744 59 residues pruned to eliminate duplicates Z: 16 27.909 2.143 0.881 0.909 0.933 0.667 CA 1.359 16 residues pruned to eliminate duplicates Z: 64 61.757 2.301 0.931 0.566 0.952 0.667 CA 1.725 64 residues pruned to eliminate duplicates Z: 70 67.689 2.330 1.022 0.574 0.957 0.681 CB 1.683 65 residues pruned to eliminate duplicates Z: 15 38.284 2.247 1.080 0.923 1.000 0.786 CA 1.538 15 residues pruned to eliminate duplicates Z: 67 63.984 2.328 0.984 0.578 0.924 0.682 CB 1.711 67 residues pruned to eliminate duplicates Z: 126 93.962 2.328 1.004 0.604 0.952 0.664 CB 1.715 69 residues pruned to eliminate duplicates Z: 14 38.477 2.312 1.023 0.947 1.000 1.000 CA 1.577 14 residues pruned to eliminate duplicates Z: 65 62.642 2.333 0.923 0.582 0.938 0.672 CA 1.720 65 residues pruned to eliminate duplicates 414 residues left after pruning, divided into chains as follows: A: 8 B: 28 C: 113 D: 11 E: 28 F: 50 G: 17 H: 152 I: 7 CC for partial structure against native data = 33.18 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.447, Connect. = 0.712 for dens.mod. cycle 1 = 0.300, Contrast = 0.522, Connect. = 0.743 for dens.mod. cycle 2 = 0.300, Contrast = 0.610, Connect. = 0.776 for dens.mod. cycle 3 = 0.300, Contrast = 0.617, Connect. = 0.782 for dens.mod. cycle 4 = 0.300, Contrast = 0.627, Connect. = 0.786 for dens.mod. cycle 5 = 0.300, Contrast = 0.629, Connect. = 0.789 for dens.mod. cycle 6 = 0.300, Contrast = 0.633, Connect. = 0.791 for dens.mod. cycle 7 = 0.300, Contrast = 0.634, Connect. = 0.793 for dens.mod. cycle 8 = 0.300, Contrast = 0.635, Connect. = 0.794 for dens.mod. cycle 9 = 0.300, Contrast = 0.635, Connect. = 0.795 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4389 peaks > 0.5 sigma used to seed fragment search Space for about 746 unique residues taking solvent into account 860 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 66 52.726 2.217 0.871 0.589 0.892 0.708 CB 1.622 B: 118 81.941 2.305 0.872 0.622 0.932 0.726 CB 1.680 66 residues pruned to eliminate duplicates C: 17 23.880 2.124 0.574 0.815 0.875 0.625 CA 1.553 D: 59 71.328 2.408 0.916 0.626 1.000 0.724 CA 1.803 17 residues pruned to eliminate duplicates E: 67 65.314 2.300 1.011 0.584 0.955 0.697 CB 1.680 65 residues pruned to eliminate duplicates F: 129 93.202 2.319 0.960 0.592 0.938 0.664 CA 1.770 59 residues pruned to eliminate duplicates G: 70 55.568 2.263 0.714 0.569 0.957 0.623 CB 1.687 70 residues pruned to eliminate duplicates H: 62 52.085 2.263 0.706 0.611 0.934 0.656 CB 1.665 62 residues pruned to eliminate duplicates I: 129 85.377 2.309 0.911 0.590 0.953 0.711 CB 1.645 67 residues pruned to eliminate duplicates J: 60 62.062 2.316 0.916 0.613 0.949 0.780 CB 1.724 60 residues pruned to eliminate duplicates K: 36 43.930 2.148 1.107 0.677 0.857 0.543 CB 1.626 L: 61 55.973 2.267 0.784 0.601 0.967 0.683 CB 1.679 61 residues pruned to eliminate duplicates M: 63 55.954 2.248 0.784 0.590 0.952 0.629 CB 1.708 63 residues pruned to eliminate duplicates N: 67 69.149 2.368 1.039 0.572 0.939 0.697 CB 1.750 67 residues pruned to eliminate duplicates O: 123 90.509 2.322 0.940 0.611 0.934 0.754 CA 1.752 123 residues pruned to eliminate duplicates P: 17 19.569 1.909 1.206 0.498 0.875 0.688 CB 1.330 Q: 14 35.266 2.119 1.043 0.900 1.000 0.923 CA 1.613 14 residues pruned to eliminate duplicates R: 17 31.152 2.232 0.758 0.797 0.938 0.625 CA 1.633 17 residues pruned to eliminate duplicates S: 65 67.944 2.378 0.964 0.598 0.953 0.672 CB 1.738 65 residues pruned to eliminate duplicates T: 14 29.043 2.262 0.788 0.856 0.923 0.769 CB 1.591 U: 67 57.548 2.278 0.790 0.588 0.924 0.682 CB 1.728 67 residues pruned to eliminate duplicates V: 15 24.334 2.126 0.328 0.932 1.000 0.857 CA 1.609 15 residues pruned to eliminate duplicates W: 61 54.897 2.266 0.713 0.618 0.967 0.667 CB 1.689 61 residues pruned to eliminate duplicates X: 16 16.044 2.100 -0.066 0.899 1.000 0.800 CA 1.510 16 residues pruned to eliminate duplicates Y: 64 66.082 2.330 0.991 0.591 0.952 0.762 CB 1.727 65 residues pruned to eliminate duplicates Z: 17 27.619 2.153 0.662 0.734 0.938 0.688 CA 1.668 17 residues pruned to eliminate duplicates Z: 14 32.658 2.118 1.236 0.666 0.923 0.615 CA 1.777 15 residues pruned to eliminate duplicates Z: 17 26.584 2.246 0.595 0.751 0.875 0.562 CA 1.695 17 residues pruned to eliminate duplicates Z: 16 29.581 2.279 0.677 0.771 1.000 0.533 CA 1.572 16 residues pruned to eliminate duplicates Z: 65 44.799 2.228 0.776 0.510 0.859 0.578 CB 1.631 65 residues pruned to eliminate duplicates Z: 16 35.254 2.340 0.771 0.729 1.000 0.467 CA 1.786 16 residues pruned to eliminate duplicates Z: 11 22.894 1.924 1.241 0.681 0.900 0.700 CB 1.580 11 residues pruned to eliminate duplicates Z: 14 31.598 2.108 0.812 0.883 1.000 0.923 CA 1.659 14 residues pruned to eliminate duplicates Z: 64 67.136 2.346 0.960 0.613 0.968 0.730 CB 1.708 64 residues pruned to eliminate duplicates Z: 15 39.269 2.228 0.941 0.880 1.000 0.714 CB 1.758 14 residues pruned to eliminate duplicates Z: 65 60.501 2.269 0.839 0.578 0.953 0.656 CB 1.763 65 residues pruned to eliminate duplicates Z: 34 55.070 2.340 1.134 0.646 0.970 0.848 CA 1.727 34 residues pruned to eliminate duplicates Z: 66 64.932 2.293 0.965 0.597 0.969 0.708 CB 1.681 67 residues pruned to eliminate duplicates Z: 15 27.380 2.129 0.509 0.930 1.000 0.786 CA 1.593 15 residues pruned to eliminate duplicates Z: 60 62.304 2.288 0.969 0.636 0.966 0.797 CB 1.641 60 residues pruned to eliminate duplicates Z: 28 30.577 2.071 0.975 0.568 0.926 0.778 CA 1.455 28 residues pruned to eliminate duplicates Z: 14 29.441 2.226 0.772 0.837 1.000 0.692 CA 1.549 14 residues pruned to eliminate duplicates Z: 15 31.870 2.167 0.613 0.924 1.000 0.786 CA 1.711 15 residues pruned to eliminate duplicates Z: 16 28.492 2.352 0.535 0.731 0.933 0.600 CB 1.773 16 residues pruned to eliminate duplicates Z: 22 21.931 1.915 1.060 0.503 0.810 0.524 CB 1.494 17 residues pruned to eliminate duplicates Z: 62 57.690 2.207 1.034 0.611 0.951 0.852 CB 1.557 Z: 69 66.922 2.347 0.957 0.553 0.956 0.588 CB 1.755 69 residues pruned to eliminate duplicates Z: 14 36.480 2.277 1.127 0.896 1.000 0.692 CB 1.497 14 residues pruned to eliminate duplicates Z: 16 27.040 2.384 0.518 0.791 0.867 0.733 CA 1.725 16 residues pruned to eliminate duplicates Z: 16 19.591 1.995 0.464 0.814 1.000 0.600 CB 1.318 16 residues pruned to eliminate duplicates Z: 63 54.759 2.215 0.948 0.605 0.952 0.742 CB 1.533 63 residues pruned to eliminate duplicates Z: 65 59.530 2.301 0.783 0.583 0.984 0.688 CB 1.703 65 residues pruned to eliminate duplicates Z: 14 34.106 2.247 0.916 0.887 1.000 0.846 CB 1.583 14 residues pruned to eliminate duplicates Z: 15 26.146 2.167 0.705 0.801 1.000 0.714 CB 1.454 15 residues pruned to eliminate duplicates Z: 16 26.904 2.250 0.673 0.783 0.867 0.667 CA 1.659 16 residues pruned to eliminate duplicates Z: 67 67.720 2.362 1.047 0.557 0.955 0.606 CA 1.709 67 residues pruned to eliminate duplicates Z: 71 60.422 2.246 0.890 0.563 0.971 0.586 CB 1.648 71 residues pruned to eliminate duplicates Z: 15 24.547 2.071 0.380 0.932 1.000 0.857 CA 1.602 15 residues pruned to eliminate duplicates Z: 106 82.027 2.309 0.940 0.634 0.943 0.771 CB 1.672 106 residues pruned to eliminate duplicates Z: 16 20.757 2.108 0.429 0.850 0.867 0.667 CA 1.521 16 residues pruned to eliminate duplicates Z: 57 58.268 2.291 0.876 0.649 0.982 0.768 CB 1.605 57 residues pruned to eliminate duplicates Z: 14 15.248 1.888 0.447 0.848 0.846 0.615 CA 1.356 14 residues pruned to eliminate duplicates Z: 56 61.981 2.297 0.858 0.650 1.000 0.745 CB 1.703 56 residues pruned to eliminate duplicates Z: 124 85.971 2.331 0.867 0.585 0.935 0.691 CA 1.755 124 residues pruned to eliminate duplicates Z: 13 31.454 2.170 1.017 0.888 1.000 0.833 CA 1.495 Z: 85 62.849 2.225 0.997 0.610 0.905 0.714 CB 1.537 60 residues pruned to eliminate duplicates Z: 65 56.263 2.297 0.763 0.604 0.969 0.719 CB 1.623 65 residues pruned to eliminate duplicates Z: 66 49.774 2.196 0.824 0.569 0.938 0.677 CB 1.536 66 residues pruned to eliminate duplicates Z: 64 70.787 2.403 0.944 0.599 0.968 0.730 CA 1.794 64 residues pruned to eliminate duplicates Z: 13 31.926 2.127 1.003 0.860 1.000 0.833 CA 1.590 13 residues pruned to eliminate duplicates Z: 58 41.214 2.129 0.615 0.596 0.947 0.614 CB 1.529 58 residues pruned to eliminate duplicates Z: 8 7.648 1.979 0.238 0.702 0.857 0.714 CB 1.145 8 residues pruned to eliminate duplicates Z: 14 32.204 2.207 0.959 0.894 0.923 0.846 CA 1.606 14 residues pruned to eliminate duplicates Z: 128 89.611 2.324 0.905 0.606 0.961 0.709 CB 1.691 128 residues pruned to eliminate duplicates Z: 15 32.335 2.426 0.781 0.767 0.857 0.500 CA 1.842 15 residues pruned to eliminate duplicates Z: 14 28.929 2.034 1.060 0.832 1.000 0.846 CA 1.437 14 residues pruned to eliminate duplicates Z: 16 27.078 2.236 0.562 0.850 0.933 0.600 CA 1.589 16 residues pruned to eliminate duplicates Z: 16 20.425 2.070 0.372 0.838 0.933 0.600 CA 1.487 16 residues pruned to eliminate duplicates Z: 12 23.553 2.065 1.222 0.724 0.909 0.909 CB 1.391 Z: 58 49.938 2.228 0.695 0.611 0.947 0.737 CB 1.664 58 residues pruned to eliminate duplicates Z: 65 63.490 2.324 0.945 0.581 0.953 0.734 CB 1.705 65 residues pruned to eliminate duplicates Z: 40 39.737 2.038 1.208 0.654 0.821 0.590 CB 1.493 35 residues pruned to eliminate duplicates Z: 67 60.023 2.274 0.848 0.602 0.955 0.758 CB 1.672 67 residues pruned to eliminate duplicates Z: 14 23.076 2.346 0.290 0.812 0.923 0.615 CB 1.746 14 residues pruned to eliminate duplicates Z: 15 32.925 2.253 1.023 0.917 0.929 0.786 CA 1.468 15 residues pruned to eliminate duplicates Z: 10 15.225 2.177 0.360 0.816 0.778 0.667 CA 1.675 10 residues pruned to eliminate duplicates Z: 70 53.983 2.231 0.769 0.590 0.957 0.725 CB 1.579 63 residues pruned to eliminate duplicates Z: 15 26.966 2.140 0.710 0.915 0.857 0.714 CA 1.624 15 residues pruned to eliminate duplicates Z: 57 70.801 2.355 1.040 0.656 0.982 0.750 CB 1.734 57 residues pruned to eliminate duplicates Z: 63 76.235 2.425 1.059 0.608 0.968 0.726 CA 1.808 63 residues pruned to eliminate duplicates Z: 10 18.095 2.080 0.558 0.759 1.000 0.778 CA 1.479 Z: 58 60.001 2.281 1.030 0.648 0.912 0.772 CB 1.638 58 residues pruned to eliminate duplicates Z: 60 59.123 2.296 0.827 0.612 0.983 0.729 CB 1.678 60 residues pruned to eliminate duplicates Z: 16 26.968 2.379 0.490 0.764 0.933 0.533 CB 1.665 16 residues pruned to eliminate duplicates Z: 34 45.869 2.223 1.166 0.602 0.970 0.576 CB 1.552 40 residues pruned to eliminate duplicates Z: 66 70.016 2.325 1.058 0.598 0.969 0.723 CB 1.705 66 residues pruned to eliminate duplicates Z: 65 65.413 2.364 0.847 0.588 0.969 0.609 CA 1.777 65 residues pruned to eliminate duplicates Z: 61 61.965 2.260 0.878 0.645 0.983 0.650 CB 1.675 61 residues pruned to eliminate duplicates Z: 15 32.032 1.999 1.098 0.854 1.000 0.786 CB 1.508 13 residues pruned to eliminate duplicates Z: 16 32.821 2.376 0.793 0.722 0.933 0.467 CA 1.744 16 residues pruned to eliminate duplicates Z: 14 26.314 2.065 1.052 0.777 0.923 0.692 CA 1.460 14 residues pruned to eliminate duplicates Z: 53 44.867 2.140 0.850 0.598 0.942 0.596 CB 1.519 53 residues pruned to eliminate duplicates Z: 65 65.504 2.332 0.913 0.608 0.969 0.688 CB 1.710 66 residues pruned to eliminate duplicates Z: 13 31.436 2.200 0.977 0.890 1.000 0.667 CB 1.501 14 residues pruned to eliminate duplicates Z: 7 8.380 2.100 0.198 0.656 0.833 0.667 CA 1.412 7 residues pruned to eliminate duplicates Z: 12 24.123 2.085 0.580 0.844 1.000 0.727 CA 1.642 12 residues pruned to eliminate duplicates Z: 22 25.642 2.068 0.652 0.799 0.857 0.476 CB 1.472 22 residues pruned to eliminate duplicates Z: 65 60.248 2.288 0.860 0.587 0.938 0.656 CB 1.737 65 residues pruned to eliminate duplicates Z: 63 60.422 2.309 0.831 0.607 0.952 0.742 CB 1.723 63 residues pruned to eliminate duplicates Z: 123 91.941 2.349 0.914 0.600 0.951 0.721 CA 1.771 123 residues pruned to eliminate duplicates Z: 86 63.741 2.275 0.795 0.523 0.941 0.659 CB 1.759 87 residues pruned to eliminate duplicates Z: 65 61.575 2.286 0.865 0.580 0.984 0.641 CB 1.697 65 residues pruned to eliminate duplicates Z: 16 29.408 2.062 0.803 0.903 1.000 0.467 CA 1.456 16 residues pruned to eliminate duplicates Z: 17 33.919 2.285 0.852 0.740 1.000 0.625 CA 1.616 17 residues pruned to eliminate duplicates Z: 53 45.418 2.289 0.639 0.579 0.904 0.692 CB 1.721 53 residues pruned to eliminate duplicates Z: 10 16.026 2.143 0.524 0.848 0.778 0.667 CA 1.560 10 residues pruned to eliminate duplicates Z: 23 34.266 2.162 0.652 0.802 0.955 0.727 CB 1.645 14 residues pruned to eliminate duplicates Z: 62 59.935 2.256 1.000 0.608 0.984 0.754 CB 1.561 69 residues pruned to eliminate duplicates Z: 15 23.485 2.060 0.452 0.858 1.000 0.786 CB 1.546 15 residues pruned to eliminate duplicates Z: 59 70.731 2.350 1.044 0.635 0.983 0.776 CB 1.733 59 residues pruned to eliminate duplicates Z: 16 24.660 2.066 0.480 0.919 1.000 0.933 CA 1.468 16 residues pruned to eliminate duplicates Z: 11 32.058 2.122 1.395 0.790 1.000 0.900 CB 1.547 12 residues pruned to eliminate duplicates Z: 11 24.287 2.066 1.306 0.677 0.900 0.700 CB 1.522 11 residues pruned to eliminate duplicates Z: 14 22.876 1.898 1.056 0.864 0.923 0.923 CB 1.291 Z: 17 22.697 2.192 0.578 0.741 0.812 0.562 CA 1.626 17 residues pruned to eliminate duplicates Z: 18 25.397 2.176 0.514 0.703 0.941 0.588 CB 1.651 18 residues pruned to eliminate duplicates Z: 15 36.598 2.152 1.135 0.883 1.000 0.714 CB 1.539 15 residues pruned to eliminate duplicates Z: 67 55.327 2.221 0.786 0.576 0.939 0.682 CB 1.698 67 residues pruned to eliminate duplicates Z: 65 56.840 2.289 0.817 0.558 0.938 0.672 CB 1.722 65 residues pruned to eliminate duplicates Z: 6 5.102 2.121 -0.249 0.835 0.800 0.800 CA 1.341 6 residues pruned to eliminate duplicates Z: 16 27.773 2.008 0.756 0.919 1.000 1.000 CA 1.432 16 residues pruned to eliminate duplicates Z: 65 60.528 2.300 0.888 0.574 0.938 0.703 CA 1.731 65 residues pruned to eliminate duplicates Z: 16 25.598 2.218 0.454 0.817 1.000 0.733 CA 1.557 16 residues pruned to eliminate duplicates Z: 15 38.243 2.161 0.966 0.913 1.000 1.000 CA 1.703 15 residues pruned to eliminate duplicates Z: 60 67.356 2.376 0.915 0.633 0.966 0.729 CA 1.760 60 residues pruned to eliminate duplicates Z: 17 18.465 2.093 0.503 0.795 0.812 0.625 CA 1.395 17 residues pruned to eliminate duplicates Z: 62 48.070 2.195 0.755 0.584 0.951 0.738 CB 1.549 62 residues pruned to eliminate duplicates Z: 29 27.317 2.175 0.983 0.446 0.857 0.571 CB 1.475 40 residues pruned to eliminate duplicates Z: 17 26.168 2.206 0.665 0.771 0.875 0.688 CA 1.601 17 residues pruned to eliminate duplicates Z: 70 57.885 2.261 0.851 0.590 0.928 0.696 CB 1.647 70 residues pruned to eliminate duplicates Z: 21 27.746 2.005 0.680 0.874 0.900 0.700 CB 1.489 21 residues pruned to eliminate duplicates Z: 60 62.435 2.299 0.932 0.619 0.949 0.712 CB 1.724 60 residues pruned to eliminate duplicates Z: 59 60.485 2.256 1.000 0.634 0.983 0.793 CB 1.579 58 residues pruned to eliminate duplicates Z: 57 67.930 2.338 0.976 0.641 0.982 0.714 CB 1.753 57 residues pruned to eliminate duplicates Z: 68 62.932 2.290 0.901 0.588 0.955 0.687 CB 1.699 65 residues pruned to eliminate duplicates Z: 15 26.087 1.884 1.106 0.890 1.000 0.857 CA 1.264 15 residues pruned to eliminate duplicates Z: 63 49.790 2.181 0.858 0.599 0.952 0.661 CB 1.492 63 residues pruned to eliminate duplicates Z: 16 25.470 2.065 0.558 0.924 1.000 0.867 CA 1.436 16 residues pruned to eliminate duplicates Z: 13 19.932 2.162 0.689 0.805 0.750 0.417 CA 1.610 13 residues pruned to eliminate duplicates Z: 67 58.637 2.270 0.847 0.588 0.970 0.758 CB 1.632 67 residues pruned to eliminate duplicates Z: 15 24.368 2.214 0.946 0.800 0.929 0.643 CB 1.252 15 residues pruned to eliminate duplicates Z: 15 28.929 2.371 0.548 0.867 0.857 0.643 CA 1.798 15 residues pruned to eliminate duplicates Z: 66 54.512 2.218 0.783 0.612 0.969 0.769 CB 1.586 66 residues pruned to eliminate duplicates Z: 66 67.894 2.369 0.918 0.590 0.969 0.662 CA 1.754 66 residues pruned to eliminate duplicates Z: 19 32.235 2.162 0.874 0.827 0.944 0.500 CA 1.496 20 residues pruned to eliminate duplicates Z: 65 57.120 2.286 0.798 0.601 0.969 0.750 CB 1.629 65 residues pruned to eliminate duplicates Z: 15 26.410 2.264 0.521 0.916 1.000 0.929 CA 1.449 15 residues pruned to eliminate duplicates Z: 126 86.604 2.266 0.968 0.602 0.960 0.656 CB 1.642 126 residues pruned to eliminate duplicates Z: 17 27.043 2.055 0.637 0.889 1.000 0.812 CA 1.447 17 residues pruned to eliminate duplicates Z: 16 20.436 2.090 0.295 0.874 1.000 0.800 CB 1.420 16 residues pruned to eliminate duplicates Z: 63 60.362 2.294 0.819 0.590 0.984 0.758 CB 1.714 63 residues pruned to eliminate duplicates Z: 15 8.859 1.823 0.123 0.829 0.786 0.571 CB 1.108 15 residues pruned to eliminate duplicates Z: 9 17.125 2.359 0.265 0.857 0.875 0.625 CB 1.709 9 residues pruned to eliminate duplicates Z: 16 26.485 2.107 0.564 0.911 1.000 0.867 CA 1.471 16 residues pruned to eliminate duplicates Z: 13 29.354 2.245 1.082 0.745 1.000 0.833 CB 1.456 16 residues pruned to eliminate duplicates Z: 15 30.703 1.982 0.852 0.857 1.000 0.429 CB 1.647 15 residues pruned to eliminate duplicates Z: 65 73.630 2.389 1.051 0.601 0.969 0.672 CA 1.761 65 residues pruned to eliminate duplicates Z: 24 27.387 1.912 0.724 0.853 0.870 0.696 CB 1.472 24 residues pruned to eliminate duplicates Z: 60 51.833 2.231 0.808 0.588 0.966 0.797 CB 1.592 60 residues pruned to eliminate duplicates Z: 15 33.387 2.141 0.910 0.872 1.000 0.786 CB 1.590 15 residues pruned to eliminate duplicates Z: 13 30.911 2.180 1.035 0.869 1.000 0.833 CB 1.469 13 residues pruned to eliminate duplicates Z: 59 58.033 2.242 0.959 0.626 0.983 0.724 CB 1.568 59 residues pruned to eliminate duplicates Z: 14 29.865 1.995 1.172 0.840 1.000 0.846 CA 1.426 14 residues pruned to eliminate duplicates Z: 66 64.328 2.329 0.960 0.583 0.938 0.692 CB 1.720 66 residues pruned to eliminate duplicates Z: 66 63.265 2.356 0.958 0.579 0.923 0.662 CB 1.707 66 residues pruned to eliminate duplicates Z: 10 19.290 1.964 0.909 0.794 1.000 0.444 CA 1.325 10 residues pruned to eliminate duplicates Z: 68 64.420 2.324 0.990 0.580 0.925 0.642 CB 1.702 68 residues pruned to eliminate duplicates Z: 17 13.849 1.956 0.330 0.785 0.875 0.438 CB 1.184 17 residues pruned to eliminate duplicates Z: 14 20.142 1.988 0.813 0.844 0.923 0.846 CA 1.249 14 residues pruned to eliminate duplicates Z: 7 7.271 1.990 0.647 0.406 0.833 0.833 CB 1.200 7 residues pruned to eliminate duplicates Z: 11 20.937 2.072 0.571 0.799 0.900 0.800 CA 1.739 11 residues pruned to eliminate duplicates Z: 15 28.862 2.146 0.689 0.933 0.929 0.786 CA 1.599 15 residues pruned to eliminate duplicates Z: 13 36.293 2.187 1.112 0.898 1.000 0.833 CA 1.623 13 residues pruned to eliminate duplicates Z: 13 25.656 2.131 0.760 0.869 1.000 0.750 CB 1.442 13 residues pruned to eliminate duplicates Z: 29 30.537 2.243 0.862 0.587 0.857 0.429 CB 1.483 30 residues pruned to eliminate duplicates Z: 11 22.277 2.191 0.730 0.703 1.000 0.600 CB 1.545 11 residues pruned to eliminate duplicates Z: 15 21.011 2.046 0.573 0.771 0.929 0.571 CA 1.479 15 residues pruned to eliminate duplicates Z: 16 24.697 2.092 0.422 0.917 1.000 0.933 CA 1.513 16 residues pruned to eliminate duplicates Z: 16 30.822 2.232 1.035 0.877 0.867 0.533 CA 1.468 16 residues pruned to eliminate duplicates Z: 10 21.249 2.399 0.651 0.490 1.000 0.444 CB 1.807 10 residues pruned to eliminate duplicates Z: 31 55.004 2.412 1.209 0.667 0.967 0.700 CA 1.670 31 residues pruned to eliminate duplicates Z: 14 30.109 2.221 0.814 0.882 1.000 0.846 CB 1.499 14 residues pruned to eliminate duplicates Z: 15 30.661 2.192 0.610 0.910 1.000 0.857 CA 1.646 15 residues pruned to eliminate duplicates Z: 57 57.375 2.278 0.768 0.640 1.000 0.768 CB 1.669 57 residues pruned to eliminate duplicates Z: 12 16.197 1.785 1.401 0.623 0.909 0.727 CB 1.116 Z: 17 23.860 2.112 0.377 0.823 0.938 0.750 CA 1.654 17 residues pruned to eliminate duplicates Z: 54 61.197 2.268 0.999 0.663 0.981 0.736 CB 1.625 56 residues pruned to eliminate duplicates Z: 18 21.573 1.932 1.050 0.606 0.941 0.824 CB 1.269 18 residues pruned to eliminate duplicates Z: 13 16.258 1.854 0.501 0.826 1.000 0.417 CB 1.272 13 residues pruned to eliminate duplicates Z: 65 56.180 2.244 0.806 0.607 0.953 0.734 CB 1.642 65 residues pruned to eliminate duplicates Z: 9 11.274 2.042 0.263 0.860 0.875 0.625 CB 1.299 9 residues pruned to eliminate duplicates Z: 71 67.300 2.359 0.990 0.561 0.971 0.643 CB 1.663 71 residues pruned to eliminate duplicates Z: 8 13.332 2.011 0.679 0.747 0.857 0.286 CB 1.397 8 residues pruned to eliminate duplicates Z: 17 20.476 2.203 0.430 0.743 0.812 0.562 CB 1.609 17 residues pruned to eliminate duplicates Z: 14 27.576 2.088 0.855 0.931 1.000 0.846 CB 1.379 14 residues pruned to eliminate duplicates Z: 13 33.658 2.315 1.119 0.859 0.917 0.417 CB 1.590 13 residues pruned to eliminate duplicates Z: 68 67.700 2.353 0.984 0.572 0.970 0.701 CA 1.703 68 residues pruned to eliminate duplicates Z: 7 5.301 1.974 0.039 0.512 0.833 0.333 CA 1.250 7 residues pruned to eliminate duplicates Z: 20 27.292 2.226 0.662 0.479 0.947 0.632 CA 1.825 20 residues pruned to eliminate duplicates Z: 15 20.988 2.095 0.483 0.859 0.929 0.643 CB 1.431 15 residues pruned to eliminate duplicates Z: 66 71.160 2.381 1.020 0.601 0.969 0.692 CB 1.720 66 residues pruned to eliminate duplicates Z: 14 21.584 2.061 1.208 0.583 0.846 0.769 CB 1.436 Z: 17 28.779 2.217 0.923 0.556 0.938 0.688 CB 1.704 17 residues pruned to eliminate duplicates Z: 60 67.401 2.377 0.962 0.615 0.966 0.712 CA 1.746 60 residues pruned to eliminate duplicates Z: 59 64.735 2.301 0.964 0.645 0.966 0.776 CB 1.701 59 residues pruned to eliminate duplicates Z: 35 40.418 2.193 1.014 0.697 0.794 0.500 CB 1.651 35 residues pruned to eliminate duplicates Z: 14 30.402 2.023 1.323 0.870 0.923 0.692 CB 1.419 14 residues pruned to eliminate duplicates Z: 68 49.781 2.216 0.756 0.566 0.910 0.687 CB 1.610 68 residues pruned to eliminate duplicates Z: 8 6.085 1.823 0.957 0.378 0.857 0.429 CB 0.857 8 residues pruned to eliminate duplicates Z: 8 13.413 2.060 0.667 0.889 0.857 0.857 CA 1.240 8 residues pruned to eliminate duplicates Z: 16 15.573 2.055 0.391 0.736 0.800 0.467 CB 1.422 16 residues pruned to eliminate duplicates Z: 53 51.020 2.247 0.793 0.586 0.962 0.692 CB 1.682 53 residues pruned to eliminate duplicates Z: 16 30.365 2.256 0.872 0.894 0.933 0.667 CA 1.427 16 residues pruned to eliminate duplicates Z: 12 10.264 1.892 0.530 0.750 0.818 0.455 CB 1.045 12 residues pruned to eliminate duplicates Z: 22 37.796 2.127 0.953 0.849 0.952 0.762 CA 1.544 22 residues pruned to eliminate duplicates Z: 61 63.318 2.304 1.004 0.601 0.950 0.700 CB 1.693 61 residues pruned to eliminate duplicates Z: 37 24.418 1.934 0.874 0.621 0.833 0.556 CB 1.202 28 residues pruned to eliminate duplicates Z: 49 59.922 2.393 1.023 0.621 0.938 0.750 CA 1.700 49 residues pruned to eliminate duplicates Z: 16 35.629 2.234 0.993 0.900 1.000 0.667 CA 1.476 16 residues pruned to eliminate duplicates Z: 44 24.942 1.958 0.911 0.625 0.814 0.488 CB 1.110 25 residues pruned to eliminate duplicates Z: 16 26.870 2.258 0.601 0.750 0.867 0.600 CA 1.771 16 residues pruned to eliminate duplicates Z: 15 30.727 2.243 0.763 0.939 1.000 0.929 CA 1.443 15 residues pruned to eliminate duplicates Z: 59 62.468 2.350 0.892 0.612 0.966 0.741 CB 1.719 59 residues pruned to eliminate duplicates Z: 15 26.808 1.977 0.952 0.850 0.929 0.714 CA 1.481 15 residues pruned to eliminate duplicates Z: 16 32.861 2.278 0.914 0.885 0.933 0.733 CA 1.505 16 residues pruned to eliminate duplicates Z: 12 14.381 1.850 1.259 0.589 0.818 0.636 CB 1.165 11 residues pruned to eliminate duplicates Z: 64 55.733 2.232 0.883 0.612 0.952 0.714 CB 1.578 64 residues pruned to eliminate duplicates Z: 56 69.732 2.391 0.950 0.656 0.964 0.745 CB 1.809 56 residues pruned to eliminate duplicates Z: 24 35.559 1.914 0.858 0.839 1.000 0.565 CB 1.556 29 residues pruned to eliminate duplicates Z: 14 28.408 2.249 0.724 0.934 1.000 0.846 CA 1.417 14 residues pruned to eliminate duplicates Z: 124 89.347 2.315 0.948 0.610 0.951 0.748 CB 1.691 67 residues pruned to eliminate duplicates Z: 67 62.346 2.294 0.961 0.602 0.924 0.727 CB 1.675 67 residues pruned to eliminate duplicates Z: 16 18.541 2.083 0.415 0.821 0.800 0.533 CA 1.537 16 residues pruned to eliminate duplicates Z: 12 12.617 1.993 0.500 0.834 0.727 0.636 CB 1.312 12 residues pruned to eliminate duplicates Z: 17 27.773 2.144 1.237 0.570 0.875 0.562 CB 1.546 17 residues pruned to eliminate duplicates Z: 39 36.940 2.005 0.884 0.631 0.921 0.474 CB 1.523 39 residues pruned to eliminate duplicates Z: 58 56.236 2.262 0.898 0.635 0.982 0.737 CB 1.556 58 residues pruned to eliminate duplicates Z: 14 13.067 1.860 0.251 0.842 0.846 0.692 CA 1.371 14 residues pruned to eliminate duplicates Z: 16 21.572 2.044 0.567 0.745 0.933 0.600 CA 1.496 16 residues pruned to eliminate duplicates Z: 14 32.113 2.196 0.864 0.937 1.000 0.769 CB 1.515 14 residues pruned to eliminate duplicates Z: 104 67.223 2.212 0.864 0.623 0.922 0.670 CB 1.551 98 residues pruned to eliminate duplicates Z: 15 29.508 2.172 0.637 0.910 0.929 0.643 CA 1.694 15 residues pruned to eliminate duplicates Z: 39 34.388 2.164 1.183 0.477 0.816 0.447 CB 1.482 39 residues pruned to eliminate duplicates Z: 59 47.233 2.191 0.755 0.588 0.897 0.724 CB 1.654 59 residues pruned to eliminate duplicates Z: 11 19.285 2.052 0.987 0.853 0.800 0.500 CB 1.381 Z: 15 27.473 2.299 0.532 0.915 1.000 0.857 CA 1.473 15 residues pruned to eliminate duplicates Z: 14 20.012 2.281 0.320 0.784 0.846 0.692 CA 1.696 14 residues pruned to eliminate duplicates Z: 135 87.632 2.285 0.930 0.574 0.948 0.657 CB 1.688 135 residues pruned to eliminate duplicates Z: 13 18.451 2.214 0.350 0.828 0.917 0.417 CB 1.464 13 residues pruned to eliminate duplicates Z: 14 27.467 2.075 0.874 0.948 1.000 0.846 CB 1.353 14 residues pruned to eliminate duplicates Z: 10 20.559 2.080 1.214 0.761 1.000 0.889 CB 1.180 10 residues pruned to eliminate duplicates Z: 12 16.824 1.785 0.886 0.594 0.909 0.727 CA 1.516 12 residues pruned to eliminate duplicates Z: 14 23.080 2.086 0.722 0.900 0.923 0.769 CB 1.379 14 residues pruned to eliminate duplicates Z: 15 31.777 2.058 1.129 0.864 1.000 0.786 CB 1.421 15 residues pruned to eliminate duplicates Z: 16 21.751 2.054 0.369 0.880 1.000 0.867 CA 1.447 16 residues pruned to eliminate duplicates Z: 19 28.287 2.207 1.130 0.693 0.889 0.444 CB 1.337 19 residues pruned to eliminate duplicates Z: 13 14.826 1.874 0.485 0.843 0.917 0.667 CA 1.249 13 residues pruned to eliminate duplicates Z: 9 20.426 2.179 0.583 0.785 1.000 0.750 CB 1.629 9 residues pruned to eliminate duplicates Z: 12 12.613 1.825 0.436 0.790 0.909 0.636 CB 1.237 12 residues pruned to eliminate duplicates Z: 9 9.914 1.980 0.659 0.800 0.750 0.500 CB 1.094 11 residues pruned to eliminate duplicates Z: 12 15.818 1.966 0.605 0.762 0.818 0.455 CB 1.464 12 residues pruned to eliminate duplicates Z: 15 24.077 2.271 0.342 0.898 0.929 0.786 CA 1.628 15 residues pruned to eliminate duplicates Z: 18 8.749 1.964 0.257 0.280 0.765 0.529 CB 1.440 18 residues pruned to eliminate duplicates Z: 13 24.905 2.025 1.381 0.684 0.917 0.750 CA 1.374 13 residues pruned to eliminate duplicates Z: 12 22.046 1.965 1.435 0.686 0.909 0.727 CA 1.289 12 residues pruned to eliminate duplicates Z: 22 23.455 1.831 0.911 0.810 0.952 0.619 CB 1.172 22 residues pruned to eliminate duplicates Z: 10 22.286 1.913 0.933 0.853 1.000 0.667 CA 1.485 10 residues pruned to eliminate duplicates Z: 8 9.527 1.903 0.568 0.445 1.000 0.429 CB 1.277 8 residues pruned to eliminate duplicates Z: 15 32.330 2.129 0.821 0.935 1.000 0.786 CB 1.554 26 residues pruned to eliminate duplicates Z: 14 25.442 1.921 0.952 0.894 1.000 0.769 CB 1.350 14 residues pruned to eliminate duplicates Z: 10 21.728 2.091 0.869 0.800 1.000 0.667 CB 1.426 10 residues pruned to eliminate duplicates Z: 16 18.760 1.977 0.472 0.796 0.933 0.600 CB 1.376 16 residues pruned to eliminate duplicates Z: 63 54.589 2.279 0.750 0.582 0.935 0.694 CA 1.717 63 residues pruned to eliminate duplicates Z: 15 19.246 1.927 0.945 0.555 0.857 0.643 CB 1.517 14 residues pruned to eliminate duplicates Z: 17 28.211 2.171 0.750 0.723 0.938 0.625 CB 1.619 17 residues pruned to eliminate duplicates Z: 18 29.490 2.153 0.944 0.551 0.941 0.706 CA 1.727 18 residues pruned to eliminate duplicates Z: 26 29.674 1.959 1.423 0.715 0.840 0.640 CB 1.225 26 residues pruned to eliminate duplicates Z: 14 22.704 1.917 1.017 0.869 1.000 0.769 CB 1.189 14 residues pruned to eliminate duplicates Z: 12 22.168 2.010 0.737 0.852 0.909 0.636 CA 1.558 12 residues pruned to eliminate duplicates Z: 14 25.595 1.982 1.477 0.701 0.923 0.692 CB 1.305 16 residues pruned to eliminate duplicates Z: 13 23.676 1.971 0.854 0.844 0.917 0.750 CB 1.519 13 residues pruned to eliminate duplicates Z: 15 29.537 2.137 0.710 0.940 0.929 0.786 CA 1.616 15 residues pruned to eliminate duplicates Z: 66 65.657 2.340 0.915 0.601 0.954 0.723 CA 1.732 66 residues pruned to eliminate duplicates Z: 16 20.996 2.029 0.529 0.801 0.933 0.667 CB 1.439 16 residues pruned to eliminate duplicates Z: 44 37.807 2.152 0.916 0.504 0.907 0.698 CB 1.537 44 residues pruned to eliminate duplicates Z: 22 27.931 1.945 0.832 0.863 0.810 0.714 CB 1.550 22 residues pruned to eliminate duplicates Z: 12 12.904 2.024 0.520 0.786 0.727 0.545 CB 1.352 12 residues pruned to eliminate duplicates Z: 14 37.138 2.327 0.965 0.949 1.000 0.923 CA 1.555 14 residues pruned to eliminate duplicates Z: 15 19.379 2.003 1.143 0.592 0.786 0.643 CA 1.407 15 residues pruned to eliminate duplicates Z: 9 12.526 2.053 0.471 0.771 0.750 0.625 CA 1.538 9 residues pruned to eliminate duplicates Z: 19 25.402 2.081 0.865 0.512 1.000 0.722 CB 1.524 19 residues pruned to eliminate duplicates Z: 57 61.888 2.287 0.999 0.649 0.964 0.768 CB 1.633 55 residues pruned to eliminate duplicates Z: 46 35.249 2.020 0.937 0.517 0.911 0.444 CB 1.449 67 residues pruned to eliminate duplicates Z: 11 16.998 1.796 0.691 0.820 1.000 0.800 CB 1.341 11 residues pruned to eliminate duplicates Z: 16 26.376 2.013 0.770 0.903 1.000 0.933 CB 1.362 16 residues pruned to eliminate duplicates Z: 15 23.370 2.053 0.543 0.931 1.000 0.857 CB 1.378 15 residues pruned to eliminate duplicates Z: 21 25.175 2.191 1.242 0.499 0.750 0.650 CB 1.530 21 residues pruned to eliminate duplicates Z: 14 22.063 1.910 1.051 0.892 1.000 0.846 CB 1.122 14 residues pruned to eliminate duplicates Z: 16 27.330 2.074 0.773 0.850 1.000 0.800 CB 1.422 16 residues pruned to eliminate duplicates Z: 7 2.494 1.477 0.393 0.390 0.667 0.667 CA 0.834 7 residues pruned to eliminate duplicates Z: 67 56.504 2.278 0.725 0.598 0.955 0.697 CB 1.689 67 residues pruned to eliminate duplicates Z: 59 58.280 2.241 0.968 0.636 0.983 0.793 CB 1.555 59 residues pruned to eliminate duplicates Z: 27 32.544 2.046 1.240 0.700 0.885 0.692 CB 1.312 26 residues pruned to eliminate duplicates Z: 14 8.912 1.917 0.698 0.286 0.692 0.462 CB 1.396 14 residues pruned to eliminate duplicates Z: 57 69.746 2.387 0.994 0.640 0.964 0.714 CB 1.781 57 residues pruned to eliminate duplicates Z: 23 43.591 2.136 1.192 0.864 0.909 0.773 CB 1.601 23 residues pruned to eliminate duplicates Z: 14 26.913 2.209 0.585 0.791 1.000 0.615 CA 1.651 14 residues pruned to eliminate duplicates Z: 36 41.175 2.128 1.037 0.700 0.857 0.543 CB 1.561 36 residues pruned to eliminate duplicates Z: 8 7.433 1.962 -0.318 0.707 1.000 0.429 O 1.740 Z: 16 16.431 1.887 0.798 0.610 0.867 0.733 CB 1.300 15 residues pruned to eliminate duplicates Z: 9 16.152 1.925 0.794 0.762 1.000 0.500 CB 1.310 9 residues pruned to eliminate duplicates Z: 12 20.850 1.904 0.930 0.908 1.000 0.818 CB 1.215 12 residues pruned to eliminate duplicates Z: 13 16.238 2.033 0.816 0.530 0.833 0.667 CB 1.479 13 residues pruned to eliminate duplicates Z: 10 9.679 1.957 0.822 0.388 0.667 0.444 CA 1.529 10 residues pruned to eliminate duplicates Z: 8 7.382 1.792 0.198 0.723 0.857 0.714 CA 1.239 8 residues pruned to eliminate duplicates Z: 59 56.099 2.254 0.867 0.629 0.948 0.759 CB 1.635 59 residues pruned to eliminate duplicates Z: 61 59.096 2.243 0.995 0.616 0.967 0.817 CB 1.580 61 residues pruned to eliminate duplicates Z: 17 20.011 2.206 0.570 0.537 0.938 0.688 CB 1.486 17 residues pruned to eliminate duplicates Z: 12 16.571 1.817 1.175 0.730 1.000 0.818 CB 1.028 12 residues pruned to eliminate duplicates Z: 28 23.192 1.996 0.796 0.643 0.815 0.222 CB 1.337 Z: 15 14.839 2.004 0.444 0.796 0.714 0.500 CB 1.481 15 residues pruned to eliminate duplicates Z: 12 12.943 1.897 0.585 0.796 0.818 0.636 CB 1.224 12 residues pruned to eliminate duplicates Z: 12 27.537 2.106 1.374 0.727 0.909 0.818 CB 1.489 11 residues pruned to eliminate duplicates Z: 13 25.113 1.867 1.489 0.715 1.000 0.750 CB 1.285 13 residues pruned to eliminate duplicates Z: 31 25.651 2.059 0.658 0.643 0.833 0.433 CB 1.441 31 residues pruned to eliminate duplicates Z: 12 13.191 1.825 0.440 0.773 1.000 0.636 CB 1.189 12 residues pruned to eliminate duplicates Z: 6 2.093 1.977 0.427 0.282 0.600 0.400 CB 0.707 6 residues pruned to eliminate duplicates Z: 14 21.412 1.995 0.576 0.936 1.000 0.923 CB 1.315 14 residues pruned to eliminate duplicates Z: 28 46.332 2.143 1.246 0.718 0.926 0.630 CB 1.644 28 residues pruned to eliminate duplicates Z: 15 26.080 2.391 0.455 0.784 0.929 0.714 CB 1.681 15 residues pruned to eliminate duplicates Z: 23 27.026 2.183 1.061 0.496 0.864 0.591 CB 1.489 23 residues pruned to eliminate duplicates Z: 9 12.493 1.867 0.929 0.815 0.875 0.500 CB 1.066 9 residues pruned to eliminate duplicates Z: 66 57.534 2.248 0.874 0.597 0.938 0.708 CB 1.646 66 residues pruned to eliminate duplicates Z: 9 5.225 1.799 -0.245 0.566 0.875 0.375 N 1.459 Z: 15 34.712 2.152 0.936 0.927 1.000 0.714 CB 1.560 15 residues pruned to eliminate duplicates Z: 14 24.039 2.081 0.737 0.843 0.923 0.769 CA 1.487 14 residues pruned to eliminate duplicates Z: 10 10.738 1.838 0.516 0.849 0.667 0.556 CB 1.428 10 residues pruned to eliminate duplicates Z: 13 22.166 1.926 1.135 0.889 1.000 0.667 CB 1.121 13 residues pruned to eliminate duplicates Z: 60 54.091 2.224 0.943 0.625 0.949 0.797 CB 1.526 60 residues pruned to eliminate duplicates Z: 15 25.278 2.075 0.660 0.915 1.000 0.857 CB 1.386 15 residues pruned to eliminate duplicates Z: 17 29.049 2.125 0.873 0.878 0.938 0.875 CA 1.413 17 residues pruned to eliminate duplicates Z: 8 3.114 1.769 -0.394 0.698 0.857 0.571 CB 1.070 Z: 31 38.348 2.077 1.115 0.619 0.933 0.767 CB 1.526 31 residues pruned to eliminate duplicates Z: 11 12.693 1.799 0.576 0.778 0.900 0.700 CB 1.231 11 residues pruned to eliminate duplicates Z: 13 40.049 2.322 1.235 0.883 1.000 0.833 CB 1.611 13 residues pruned to eliminate duplicates Z: 16 25.360 2.009 0.726 0.925 1.000 0.533 CB 1.326 16 residues pruned to eliminate duplicates Z: 16 34.557 2.234 1.191 0.590 1.000 0.800 CB 1.672 16 residues pruned to eliminate duplicates Z: 11 15.200 1.735 1.088 0.774 0.900 0.800 CA 1.157 11 residues pruned to eliminate duplicates Z: 14 19.768 1.901 0.880 0.845 0.923 0.615 CB 1.236 14 residues pruned to eliminate duplicates Z: 6 2.701 1.562 0.136 0.363 1.000 0.800 CB 0.789 Z: 26 20.720 1.930 0.944 0.570 0.880 0.560 CB 1.173 26 residues pruned to eliminate duplicates Z: 16 18.461 2.164 0.411 0.703 0.800 0.600 CB 1.622 16 residues pruned to eliminate duplicates Z: 14 33.878 2.040 1.125 0.924 1.000 0.923 CA 1.522 14 residues pruned to eliminate duplicates Z: 14 34.416 2.229 0.720 0.940 1.000 0.846 CA 1.729 14 residues pruned to eliminate duplicates Z: 9 9.554 1.821 0.369 0.731 0.750 0.750 CA 1.467 9 residues pruned to eliminate duplicates Z: 60 58.401 2.256 0.896 0.627 0.949 0.576 CB 1.662 60 residues pruned to eliminate duplicates Z: 12 15.396 1.845 0.632 0.807 0.909 0.727 CB 1.297 12 residues pruned to eliminate duplicates Z: 14 16.331 2.084 0.402 0.756 0.923 0.615 CB 1.337 14 residues pruned to eliminate duplicates Z: 42 49.599 2.230 1.055 0.657 0.927 0.634 CB 1.576 42 residues pruned to eliminate duplicates Z: 13 20.701 1.965 1.263 0.664 0.917 0.667 CA 1.260 13 residues pruned to eliminate duplicates Z: 15 25.124 2.030 0.850 0.943 1.000 0.929 CB 1.239 15 residues pruned to eliminate duplicates Z: 13 22.054 1.963 0.911 0.901 1.000 1.000 CB 1.211 13 residues pruned to eliminate duplicates Z: 30 26.451 2.085 0.718 0.520 0.931 0.552 CB 1.444 30 residues pruned to eliminate duplicates Z: 33 45.319 2.186 1.251 0.643 0.906 0.719 CB 1.572 33 residues pruned to eliminate duplicates Z: 6 3.605 1.824 -0.320 0.839 1.000 1.000 CB 0.970 Z: 58 61.783 2.374 0.951 0.584 0.947 0.684 CA 1.720 58 residues pruned to eliminate duplicates Z: 13 34.052 2.129 1.112 0.916 1.000 1.000 CA 1.544 14 residues pruned to eliminate duplicates Z: 14 38.216 2.129 1.168 0.906 1.000 0.846 CA 1.633 14 residues pruned to eliminate duplicates Z: 51 54.132 2.235 1.055 0.625 0.940 0.620 CB 1.577 51 residues pruned to eliminate duplicates Z: 12 20.218 2.083 0.362 0.887 1.000 0.818 CA 1.549 12 residues pruned to eliminate duplicates Z: 16 29.071 2.031 0.948 0.931 1.000 0.733 CB 1.325 16 residues pruned to eliminate duplicates Z: 11 22.461 1.980 1.025 0.865 1.000 0.700 CB 1.298 11 residues pruned to eliminate duplicates Z: 14 26.186 2.081 0.781 0.941 1.000 0.769 CB 1.359 14 residues pruned to eliminate duplicates Z: 14 21.202 1.888 1.586 0.620 0.846 0.692 CB 1.272 15 residues pruned to eliminate duplicates Z: 16 24.421 2.195 0.580 0.784 0.867 0.733 CA 1.634 16 residues pruned to eliminate duplicates Z: 16 25.863 1.977 0.751 0.931 1.000 0.933 CB 1.348 16 residues pruned to eliminate duplicates Z: 9 12.937 2.124 0.312 0.877 0.750 0.625 CA 1.589 9 residues pruned to eliminate duplicates Z: 16 30.350 2.117 1.041 0.689 0.933 0.733 CA 1.634 16 residues pruned to eliminate duplicates Z: 10 17.344 1.854 1.079 0.782 1.000 0.667 CB 1.170 10 residues pruned to eliminate duplicates Z: 15 25.592 2.280 0.576 0.763 0.929 0.500 CA 1.623 15 residues pruned to eliminate duplicates Z: 65 63.016 2.311 0.892 0.618 0.953 0.750 CB 1.691 65 residues pruned to eliminate duplicates Z: 20 30.336 2.209 0.802 0.524 0.947 0.737 CA 1.801 20 residues pruned to eliminate duplicates Z: 11 17.146 1.933 1.071 0.776 0.900 0.500 CA 1.180 11 residues pruned to eliminate duplicates Z: 16 18.195 1.943 0.375 0.911 1.000 0.867 CB 1.246 16 residues pruned to eliminate duplicates Z: 14 20.212 1.867 0.995 0.880 1.000 0.923 CB 1.091 14 residues pruned to eliminate duplicates Z: 35 41.956 2.229 1.050 0.605 0.941 0.647 CB 1.514 35 residues pruned to eliminate duplicates Z: 12 19.211 1.957 0.775 0.925 1.000 1.000 CB 1.170 12 residues pruned to eliminate duplicates Z: 6 6.172 1.848 -0.202 0.809 1.000 0.800 O 1.430 Z: 12 17.740 2.081 0.412 0.801 0.909 0.545 CB 1.539 12 residues pruned to eliminate duplicates Z: 24 36.585 2.061 1.000 0.858 0.913 0.391 CB 1.493 24 residues pruned to eliminate duplicates Z: 67 67.041 2.330 0.933 0.587 0.970 0.697 CA 1.738 67 residues pruned to eliminate duplicates Z: 12 27.634 1.996 1.573 0.729 1.000 0.727 CA 1.321 12 residues pruned to eliminate duplicates Z: 16 35.980 2.151 1.080 0.902 1.000 0.667 CA 1.481 16 residues pruned to eliminate duplicates Z: 10 5.776 1.807 -0.052 0.520 1.000 0.667 CB 1.103 6 residues pruned to eliminate duplicates Z: 42 36.554 2.045 0.856 0.669 0.878 0.561 CB 1.465 42 residues pruned to eliminate duplicates Z: 11 18.208 1.804 0.990 0.774 1.000 0.500 CB 1.259 11 residues pruned to eliminate duplicates Z: 47 57.803 2.372 0.897 0.628 0.978 0.696 CA 1.717 47 residues pruned to eliminate duplicates Z: 59 61.383 2.309 0.861 0.627 0.983 0.707 CB 1.693 59 residues pruned to eliminate duplicates Z: 34 46.530 2.268 1.008 0.604 0.970 0.697 CB 1.662 34 residues pruned to eliminate duplicates Z: 9 9.254 1.653 0.311 0.841 0.875 0.875 CB 1.287 9 residues pruned to eliminate duplicates Z: 71 52.032 2.176 0.940 0.545 0.929 0.614 CB 1.519 71 residues pruned to eliminate duplicates Z: 15 21.724 2.087 0.300 0.939 1.000 0.929 CA 1.487 15 residues pruned to eliminate duplicates Z: 10 9.645 1.835 0.694 0.513 1.000 0.778 CB 1.021 10 residues pruned to eliminate duplicates Z: 9 16.941 1.941 0.693 0.857 0.875 0.750 CA 1.534 9 residues pruned to eliminate duplicates Z: 14 26.955 1.938 1.002 0.911 1.000 0.769 CB 1.366 14 residues pruned to eliminate duplicates Z: 27 46.374 2.205 1.236 0.732 0.885 0.654 CB 1.692 27 residues pruned to eliminate duplicates Z: 8 5.939 1.643 0.328 0.513 0.857 0.714 CB 1.184 Z: 17 17.383 1.977 0.308 0.777 0.938 0.562 CB 1.403 17 residues pruned to eliminate duplicates Z: 15 11.203 1.869 0.161 0.790 0.786 0.500 CA 1.361 15 residues pruned to eliminate duplicates Z: 45 40.475 2.169 0.735 0.639 0.886 0.773 CB 1.606 45 residues pruned to eliminate duplicates Z: 65 49.013 2.217 0.758 0.546 0.906 0.594 CB 1.658 65 residues pruned to eliminate duplicates Z: 59 71.716 2.402 0.979 0.620 1.000 0.672 CB 1.768 59 residues pruned to eliminate duplicates Z: 57 55.057 2.273 0.707 0.645 0.982 0.804 CB 1.685 57 residues pruned to eliminate duplicates Z: 17 8.440 1.787 0.433 0.394 0.812 0.562 CB 1.135 17 residues pruned to eliminate duplicates Z: 6 8.079 2.073 0.511 0.794 1.000 0.800 CB 0.892 Z: 8 3.491 1.745 -0.071 0.442 0.857 0.143 CB 1.008 8 residues pruned to eliminate duplicates Z: 14 17.056 1.816 0.915 0.896 1.000 0.769 CB 0.974 14 residues pruned to eliminate duplicates Z: 13 17.966 2.056 0.359 0.918 1.000 0.917 CB 1.309 13 residues pruned to eliminate duplicates Z: 18 22.951 2.018 0.963 0.608 0.882 0.706 CB 1.437 18 residues pruned to eliminate duplicates Z: 12 14.271 1.813 1.147 0.649 0.909 0.636 CA 1.058 12 residues pruned to eliminate duplicates Z: 11 6.671 1.524 0.441 0.825 0.900 0.600 CB 0.805 11 residues pruned to eliminate duplicates Z: 44 47.047 2.265 0.829 0.668 0.977 0.814 CB 1.518 13 residues pruned to eliminate duplicates Z: 66 63.953 2.369 0.930 0.571 0.938 0.754 CA 1.726 66 residues pruned to eliminate duplicates Z: 9 11.591 1.787 0.633 0.777 1.000 0.625 CB 1.100 9 residues pruned to eliminate duplicates Z: 47 48.531 2.210 0.795 0.647 0.978 0.696 CB 1.608 47 residues pruned to eliminate duplicates Z: 17 18.831 1.943 0.585 0.742 0.812 0.625 CB 1.515 17 residues pruned to eliminate duplicates Z: 40 24.013 1.909 0.922 0.605 0.846 0.538 CB 1.121 40 residues pruned to eliminate duplicates Z: 24 24.418 1.858 0.798 0.804 0.870 0.565 CB 1.344 24 residues pruned to eliminate duplicates Z: 13 11.127 1.971 0.673 0.308 0.917 0.417 CB 1.316 13 residues pruned to eliminate duplicates Z: 17 26.790 2.029 0.739 0.926 0.938 0.750 CA 1.420 17 residues pruned to eliminate duplicates Z: 12 18.117 2.070 0.713 0.710 0.909 0.909 CB 1.401 12 residues pruned to eliminate duplicates Z: 13 22.230 1.928 1.259 0.700 0.917 0.833 CA 1.339 15 residues pruned to eliminate duplicates Z: 6 2.593 1.566 -0.126 0.719 1.000 0.600 CB 0.695 Z: 17 28.934 1.947 1.044 0.910 1.000 0.750 CB 1.289 17 residues pruned to eliminate duplicates Z: 13 27.651 2.148 0.987 0.912 0.917 0.667 CA 1.446 13 residues pruned to eliminate duplicates Z: 33 42.677 2.157 1.075 0.623 0.969 0.781 CB 1.550 33 residues pruned to eliminate duplicates Z: 14 19.360 1.890 0.823 0.876 1.000 0.923 CB 1.133 14 residues pruned to eliminate duplicates Z: 111 83.633 2.316 0.821 0.628 0.973 0.745 CB 1.723 111 residues pruned to eliminate duplicates Z: 117 78.596 2.263 0.830 0.601 0.957 0.672 CB 1.673 117 residues pruned to eliminate duplicates 6 1.871 1.160 0.088 0.369 1.000 0.400 CA 0.763 ? Z: 11 7.145 1.735 -0.164 0.726 0.900 0.700 N 1.411 Z: 41 29.145 2.068 0.779 0.514 0.850 0.450 CB 1.453 44 residues pruned to eliminate duplicates Z: 6 4.252 1.540 0.214 0.353 1.000 0.600 CB 1.192 Z: 10 11.595 1.994 0.666 0.316 1.000 0.556 CB 1.427 Z: 6 9.502 1.769 0.345 0.788 1.000 1.000 CB 1.387 6 residues pruned to eliminate duplicates Z: 37 27.172 1.920 0.868 0.673 0.833 0.583 CB 1.292 51 residues pruned to eliminate duplicates Z: 14 21.083 1.878 1.013 0.911 0.923 0.769 CB 1.188 14 residues pruned to eliminate duplicates Z: 15 20.778 1.804 0.907 0.852 1.000 0.714 CB 1.193 15 residues pruned to eliminate duplicates Z: 16 23.444 1.996 0.669 0.911 0.933 0.933 CB 1.380 16 residues pruned to eliminate duplicates Z: 21 24.357 1.912 0.735 0.827 0.950 0.600 CB 1.302 21 residues pruned to eliminate duplicates Z: 10 7.984 1.658 0.563 0.822 0.889 0.778 CB 0.874 10 residues pruned to eliminate duplicates Z: 55 61.587 2.299 0.701 0.689 1.000 0.722 CB 1.802 55 residues pruned to eliminate duplicates Z: 13 25.634 2.026 0.939 0.902 1.000 0.583 CB 1.344 13 residues pruned to eliminate duplicates Z: 6 3.837 1.781 -0.246 0.603 0.800 0.600 N 1.447 6 residues pruned to eliminate duplicates Z: 13 11.117 1.816 0.258 0.855 0.917 0.667 CB 1.130 13 residues pruned to eliminate duplicates Z: 33 50.498 2.407 0.888 0.566 1.000 0.688 CB 1.843 33 residues pruned to eliminate duplicates Z: 14 27.880 1.893 1.466 0.659 1.000 0.846 CA 1.429 12 residues pruned to eliminate duplicates Z: 14 25.578 2.163 0.976 0.866 0.846 0.846 CB 1.435 14 residues pruned to eliminate duplicates Z: 14 33.103 2.217 0.890 0.907 1.000 0.615 CB 1.557 14 residues pruned to eliminate duplicates Z: 6 4.626 1.861 -0.243 0.692 1.000 0.600 CB 1.231 6 residues pruned to eliminate duplicates Z: 10 18.006 1.941 0.786 0.769 1.000 0.333 CB 1.364 12 residues pruned to eliminate duplicates Z: 10 8.980 1.588 0.470 0.821 1.000 0.667 CB 0.971 10 residues pruned to eliminate duplicates Z: 7 4.881 1.678 -0.193 0.836 1.000 0.667 CB 1.101 Z: 9 3.798 1.680 -0.396 0.593 0.875 0.625 CB 1.384 7 residues pruned to eliminate duplicates Z: 11 13.429 1.960 0.673 0.386 1.000 0.600 CB 1.462 11 residues pruned to eliminate duplicates Z: 64 59.000 2.252 0.912 0.595 0.952 0.683 CB 1.655 64 residues pruned to eliminate duplicates Z: 10 15.720 1.878 0.751 0.856 0.889 0.778 CA 1.322 10 residues pruned to eliminate duplicates Z: 62 58.311 2.293 0.778 0.613 0.967 0.836 CB 1.702 62 residues pruned to eliminate duplicates Z: 12 15.596 1.629 0.754 0.836 1.000 0.545 CB 1.232 12 residues pruned to eliminate duplicates Z: 13 14.285 1.836 1.181 0.583 0.833 0.750 CB 1.141 13 residues pruned to eliminate duplicates Z: 36 43.727 2.131 1.144 0.666 0.914 0.400 CB 1.517 37 residues pruned to eliminate duplicates Z: 22 27.192 1.884 1.093 0.831 0.952 0.762 CB 1.187 22 residues pruned to eliminate duplicates Z: 43 31.796 1.993 0.889 0.551 0.833 0.524 CB 1.488 43 residues pruned to eliminate duplicates Z: 7 17.437 2.161 1.138 0.532 1.000 0.667 CA 1.494 7 residues pruned to eliminate duplicates Z: 8 2.448 1.512 -0.241 0.683 0.857 0.714 N 0.796 5 residues pruned to eliminate duplicates Z: 13 25.029 2.083 0.945 0.890 1.000 0.500 CB 1.283 13 residues pruned to eliminate duplicates Z: 29 19.565 1.928 0.777 0.397 0.929 0.607 CB 1.295 29 residues pruned to eliminate duplicates Z: 20 28.863 2.245 0.728 0.514 1.000 0.737 CB 1.683 20 residues pruned to eliminate duplicates Z: 8 9.262 1.953 0.021 0.620 1.000 0.714 CB 1.568 9 residues pruned to eliminate duplicates Z: 21 19.833 1.968 0.583 0.812 0.850 0.300 CB 1.276 21 residues pruned to eliminate duplicates Z: 12 29.568 2.115 1.374 0.823 1.000 0.909 CB 1.342 12 residues pruned to eliminate duplicates Z: 7 4.550 1.619 -0.356 0.833 1.000 0.833 C 1.335 Z: 60 62.396 2.307 0.913 0.627 0.966 0.712 CB 1.691 60 residues pruned to eliminate duplicates Z: 22 18.788 1.890 0.888 0.480 0.810 0.524 CB 1.449 30 residues pruned to eliminate duplicates Z: 7 4.530 1.622 -0.084 0.840 1.000 0.667 CB 0.929 7 residues pruned to eliminate duplicates Z: 148 84.808 2.237 0.912 0.563 0.925 0.667 CB 1.662 157 residues pruned to eliminate duplicates Z: 17 32.108 2.248 0.769 0.614 1.000 0.750 C 1.812 17 residues pruned to eliminate duplicates Z: 14 14.123 1.837 0.872 0.593 0.846 0.692 CB 1.232 10 residues pruned to eliminate duplicates Z: 10 18.021 1.935 0.640 0.869 1.000 0.667 CB 1.383 10 residues pruned to eliminate duplicates Z: 8 9.376 1.978 0.543 0.713 0.714 0.429 CB 1.341 Z: 15 21.244 2.159 0.529 0.780 1.000 0.500 CB 1.344 15 residues pruned to eliminate duplicates Z: 6 2.686 1.650 0.623 0.710 1.000 0.800 CB 0.371 Z: 6 3.596 1.545 0.663 0.286 1.000 0.400 CB 0.796 Z: 13 20.553 1.973 0.813 0.815 0.917 0.667 CB 1.377 13 residues pruned to eliminate duplicates Z: 15 35.355 2.120 0.978 0.934 1.000 0.500 CB 1.571 15 residues pruned to eliminate duplicates Z: 7 7.538 1.872 1.014 0.586 0.667 0.500 CB 1.128 7 residues pruned to eliminate duplicates Z: 14 19.129 1.888 0.929 0.883 1.000 0.846 CB 1.053 14 residues pruned to eliminate duplicates Z: 13 16.170 1.685 0.826 0.886 1.000 0.917 CB 1.095 13 residues pruned to eliminate duplicates Z: 6 5.585 1.532 0.453 0.591 0.800 0.600 CB 1.285 6 residues pruned to eliminate duplicates Z: 14 28.530 2.092 0.850 0.853 1.000 0.692 CA 1.511 14 residues pruned to eliminate duplicates Z: 55 58.724 2.275 0.848 0.642 0.981 0.759 CB 1.695 55 residues pruned to eliminate duplicates Z: 58 59.154 2.304 0.831 0.618 0.982 0.754 CB 1.690 58 residues pruned to eliminate duplicates Z: 59 56.054 2.233 0.851 0.623 0.948 0.776 CB 1.671 59 residues pruned to eliminate duplicates Z: 26 38.690 2.090 1.206 0.756 0.960 0.800 CB 1.391 26 residues pruned to eliminate duplicates Z: 62 60.290 2.277 0.950 0.598 0.934 0.689 CB 1.694 62 residues pruned to eliminate duplicates Z: 10 18.001 2.051 0.340 0.889 1.000 0.778 CA 1.572 10 residues pruned to eliminate duplicates Z: 85 62.753 2.160 0.838 0.632 0.952 0.571 CB 1.599 85 residues pruned to eliminate duplicates Z: 32 40.476 2.182 1.157 0.600 0.935 0.613 CB 1.501 7 residues pruned to eliminate duplicates Z: 13 13.283 1.711 0.357 0.852 1.000 0.917 CB 1.222 13 residues pruned to eliminate duplicates Z: 72 53.690 2.232 0.850 0.540 0.915 0.662 CB 1.621 72 residues pruned to eliminate duplicates Z: 10 7.967 1.717 0.526 0.442 1.000 0.889 CA 1.076 Z: 25 18.543 1.954 0.945 0.397 0.833 0.583 CB 1.332 31 residues pruned to eliminate duplicates Z: 7 8.186 1.571 1.051 0.651 0.833 0.667 CB 1.081 7 residues pruned to eliminate duplicates Z: 55 41.198 2.052 0.879 0.590 0.907 0.722 CB 1.470 55 residues pruned to eliminate duplicates Z: 7 7.522 1.829 0.069 0.564 1.000 0.167 N 1.475 9 residues pruned to eliminate duplicates Z: 34 27.517 2.050 0.983 0.434 0.879 0.606 CB 1.437 34 residues pruned to eliminate duplicates Z: 43 31.149 1.970 1.008 0.597 0.857 0.595 CB 1.293 43 residues pruned to eliminate duplicates Z: 8 5.937 1.718 0.786 0.243 0.714 0.429 CA 1.378 Z: 65 70.116 2.363 1.041 0.596 0.953 0.672 CA 1.739 65 residues pruned to eliminate duplicates Z: 14 6.179 1.762 0.502 0.264 0.846 0.538 CB 1.001 14 residues pruned to eliminate duplicates Z: 16 22.176 2.111 0.692 0.780 0.933 0.600 CB 1.342 16 residues pruned to eliminate duplicates Z: 6 7.545 1.874 0.367 0.713 1.000 0.800 CA 1.086 6 residues pruned to eliminate duplicates Z: 26 36.693 2.082 1.149 0.742 0.960 0.640 CB 1.376 26 residues pruned to eliminate duplicates Z: 8 9.448 1.882 0.594 0.450 0.857 0.571 CB 1.461 8 residues pruned to eliminate duplicates Z: 63 65.891 2.287 0.973 0.627 0.935 0.726 CB 1.758 63 residues pruned to eliminate duplicates Z: 23 25.756 1.969 0.710 0.846 0.909 0.636 CB 1.333 23 residues pruned to eliminate duplicates Z: 17 23.186 2.179 1.027 0.506 0.875 0.562 CB 1.491 17 residues pruned to eliminate duplicates Z: 7 5.977 2.004 0.845 0.393 1.000 0.500 CB 0.739 12 residues pruned to eliminate duplicates Z: 14 20.518 2.146 0.447 0.786 1.000 0.692 CB 1.425 14 residues pruned to eliminate duplicates Z: 15 29.032 2.145 0.754 0.901 1.000 0.786 CB 1.472 15 residues pruned to eliminate duplicates Z: 39 46.799 2.226 0.789 0.637 0.974 0.737 CB 1.723 39 residues pruned to eliminate duplicates Z: 8 7.204 1.589 0.534 0.843 1.000 0.857 CB 0.832 8 residues pruned to eliminate duplicates Z: 6 4.504 1.630 0.395 0.511 0.800 0.800 CB 1.094 Z: 50 48.386 2.257 0.809 0.604 0.918 0.633 CB 1.669 50 residues pruned to eliminate duplicates Z: 62 66.685 2.340 1.024 0.598 0.951 0.639 CA 1.727 62 residues pruned to eliminate duplicates Z: 15 22.584 2.142 0.417 0.897 1.000 0.714 CB 1.423 15 residues pruned to eliminate duplicates Z: 62 67.912 2.372 0.984 0.589 0.967 0.672 CA 1.755 62 residues pruned to eliminate duplicates Z: 16 23.296 2.048 0.526 0.849 1.000 0.867 CA 1.427 16 residues pruned to eliminate duplicates Z: 7 3.190 1.743 -0.309 0.728 0.833 0.500 N 1.056 6 residues pruned to eliminate duplicates 6 1.546 1.486 0.161 0.279 0.600 0.400 CB 0.858 ? Z: 45 42.949 2.153 0.703 0.638 0.955 0.727 CA 1.625 45 residues pruned to eliminate duplicates Z: 66 66.240 2.325 0.948 0.605 0.969 0.754 CB 1.694 66 residues pruned to eliminate duplicates Z: 14 18.903 1.860 0.914 0.871 1.000 0.923 CB 1.075 14 residues pruned to eliminate duplicates Z: 13 7.833 1.740 0.512 0.367 0.833 0.500 CB 1.190 13 residues pruned to eliminate duplicates Z: 21 15.469 1.720 0.691 0.622 0.900 0.700 CB 1.177 Z: 8 9.493 1.773 0.685 0.863 0.857 0.714 CB 1.028 8 residues pruned to eliminate duplicates Z: 10 7.552 1.749 1.662 0.687 0.778 0.778 CB 0.586 Z: 15 16.467 1.913 0.984 0.599 0.786 0.643 CA 1.343 15 residues pruned to eliminate duplicates Z: 6 5.510 1.567 0.100 0.668 1.000 0.600 O 1.225 Z: 7 7.217 1.781 0.476 0.476 1.000 0.833 CA 1.148 7 residues pruned to eliminate duplicates Z: 6 2.657 1.189 -0.210 0.880 1.000 1.000 N 0.917 Z: 6 2.541 1.522 0.170 0.530 0.600 0.600 CB 1.033 Z: 6 5.941 1.819 0.027 0.877 1.000 1.000 CA 1.033 Z: 23 24.944 1.945 0.675 0.867 0.864 0.682 CB 1.383 23 residues pruned to eliminate duplicates Z: 14 13.112 1.697 0.688 0.666 0.846 0.385 CA 1.287 Z: 17 15.818 1.879 0.777 0.477 0.875 0.375 CA 1.385 17 residues pruned to eliminate duplicates Z: 9 4.009 1.619 0.007 0.283 0.875 0.500 CB 1.269 9 residues pruned to eliminate duplicates Z: 15 40.970 2.285 1.248 0.937 1.000 0.786 CA 1.484 15 residues pruned to eliminate duplicates Z: 11 15.745 1.673 0.832 0.753 1.000 0.600 CA 1.296 11 residues pruned to eliminate duplicates Z: 10 6.426 1.657 0.294 0.634 0.889 0.778 CB 0.991 Z: 36 46.331 2.279 0.983 0.600 0.943 0.800 CB 1.671 36 residues pruned to eliminate duplicates Z: 10 7.981 1.927 0.810 0.321 0.778 0.556 CB 1.194 10 residues pruned to eliminate duplicates Z: 8 4.090 1.501 0.527 0.422 0.714 0.571 N 1.024 Z: 8 11.195 2.226 0.510 0.557 0.857 0.714 CB 1.389 8 residues pruned to eliminate duplicates Z: 49 54.871 2.319 0.986 0.597 0.938 0.708 CB 1.673 55 residues pruned to eliminate duplicates Z: 13 24.927 1.947 1.192 0.714 0.917 0.833 CB 1.515 13 residues pruned to eliminate duplicates Z: 8 6.347 1.829 -0.319 0.739 1.000 0.429 N 1.555 8 residues pruned to eliminate duplicates Z: 19 18.279 1.930 0.759 0.549 0.833 0.556 CB 1.452 19 residues pruned to eliminate duplicates 6 1.595 1.273 0.139 0.432 0.800 0.400 C 0.660 ? Z: 17 24.222 2.119 0.474 0.798 0.938 0.750 CA 1.593 17 residues pruned to eliminate duplicates Z: 31 36.311 2.284 0.748 0.528 0.933 0.600 CB 1.731 31 residues pruned to eliminate duplicates Z: 17 17.060 2.009 0.467 0.729 0.875 0.625 CB 1.346 17 residues pruned to eliminate duplicates Z: 10 10.969 1.620 0.652 0.578 1.000 0.667 CA 1.267 10 residues pruned to eliminate duplicates Z: 13 14.693 2.080 0.901 0.430 0.750 0.583 CB 1.539 13 residues pruned to eliminate duplicates Z: 10 13.884 1.893 0.489 0.892 1.000 0.889 CA 1.180 10 residues pruned to eliminate duplicates Z: 7 3.508 1.477 -0.162 0.520 1.000 0.500 N 1.135 7 residues pruned to eliminate duplicates Z: 9 3.121 1.354 0.389 0.274 0.750 0.375 CB 1.010 Z: 65 73.557 2.399 1.021 0.610 0.953 0.672 CB 1.793 65 residues pruned to eliminate duplicates Z: 45 44.623 2.231 0.990 0.576 0.932 0.614 CA 1.512 45 residues pruned to eliminate duplicates Z: 10 15.703 2.031 0.743 0.426 1.000 0.444 CB 1.597 Z: 14 16.957 2.054 0.684 0.481 0.923 0.538 C 1.503 24 residues pruned to eliminate duplicates 6 1.747 1.450 0.275 0.420 0.600 0.400 C 0.765 ? Z: 6 9.576 1.955 1.122 0.576 0.800 0.400 CB 1.199 6 residues pruned to eliminate duplicates Z: 27 27.992 1.926 1.132 0.557 0.885 0.462 CB 1.430 27 residues pruned to eliminate duplicates Z: 22 27.676 2.152 1.195 0.543 0.857 0.476 CB 1.430 22 residues pruned to eliminate duplicates Z: 9 3.209 1.483 0.369 0.247 0.875 0.375 CB 0.855 Z: 35 47.089 2.210 0.880 0.727 0.971 0.912 CB 1.632 35 residues pruned to eliminate duplicates Z: 60 57.261 2.239 0.933 0.636 0.966 0.847 CB 1.570 54 residues pruned to eliminate duplicates Z: 42 42.209 2.164 0.812 0.671 0.902 0.732 CB 1.591 42 residues pruned to eliminate duplicates Z: 63 69.828 2.339 1.009 0.642 0.968 0.694 CB 1.707 63 residues pruned to eliminate duplicates Z: 63 55.130 2.275 0.768 0.601 0.952 0.661 CB 1.661 63 residues pruned to eliminate duplicates Z: 7 3.959 1.493 0.640 0.581 0.833 0.500 CB 0.732 Z: 7 2.628 1.650 -0.255 0.712 0.833 0.833 CB 0.864 7 residues pruned to eliminate duplicates 6 1.600 1.303 0.400 0.298 0.600 0.400 CA 0.819 ? Z: 6 3.602 1.406 -0.048 0.801 1.000 0.800 CB 0.925 Z: 52 56.809 2.266 1.038 0.612 0.941 0.745 CB 1.645 52 residues pruned to eliminate duplicates Z: 9 4.998 1.819 0.101 0.422 0.875 0.500 CB 1.093 10 residues pruned to eliminate duplicates Z: 16 18.553 1.937 0.435 0.917 1.000 0.800 CB 1.216 16 residues pruned to eliminate duplicates Z: 14 21.031 1.983 0.571 0.804 0.923 0.846 CB 1.555 14 residues pruned to eliminate duplicates Z: 15 33.195 1.993 1.070 0.914 1.000 0.643 CA 1.522 15 residues pruned to eliminate duplicates Z: 42 32.295 2.032 1.070 0.548 0.854 0.585 CB 1.341 42 residues pruned to eliminate duplicates Z: 46 59.686 2.328 0.924 0.633 1.000 0.711 CA 1.753 46 residues pruned to eliminate duplicates 7 1.518 1.447 0.084 0.272 1.000 0.500 CB 0.512 ? 8 1.771 1.337 0.442 0.230 0.714 0.429 CB 0.666 ? Z: 25 30.523 2.194 0.978 0.475 0.917 0.667 CB 1.606 25 residues pruned to eliminate duplicates Z: 6 3.717 1.312 0.755 0.470 0.800 0.600 CB 0.930 Z: 35 36.891 2.165 0.819 0.642 0.912 0.500 CB 1.543 47 residues pruned to eliminate duplicates Z: 8 7.333 1.625 0.231 0.646 1.000 0.714 CB 1.209 8 residues pruned to eliminate duplicates Z: 25 35.385 2.345 1.102 0.472 0.917 0.750 CA 1.646 25 residues pruned to eliminate duplicates Z: 14 26.316 2.044 0.942 0.892 0.923 0.846 CB 1.431 14 residues pruned to eliminate duplicates Z: 25 31.562 2.252 0.739 0.495 0.958 0.625 CA 1.726 25 residues pruned to eliminate duplicates Z: 20 20.251 1.855 0.790 0.853 0.895 0.737 CB 1.156 41 residues pruned to eliminate duplicates Z: 29 34.514 2.267 0.903 0.502 0.929 0.786 CB 1.625 29 residues pruned to eliminate duplicates Z: 6 2.964 1.420 0.196 0.437 0.800 0.600 CA 1.041 6 residues pruned to eliminate duplicates Z: 6 3.263 1.657 0.581 0.298 0.600 0.400 CB 1.163 Z: 31 26.084 2.170 1.104 0.353 0.833 0.667 CB 1.468 31 residues pruned to eliminate duplicates Z: 37 37.465 2.089 1.049 0.679 0.833 0.500 CB 1.484 35 residues pruned to eliminate duplicates Z: 8 9.919 2.021 0.043 0.817 1.000 0.857 CA 1.350 8 residues pruned to eliminate duplicates Z: 8 2.676 1.506 -0.093 0.487 0.714 0.571 CB 1.051 7 residues pruned to eliminate duplicates Z: 14 24.128 1.871 0.994 0.909 1.000 0.692 CB 1.274 14 residues pruned to eliminate duplicates Z: 9 16.069 2.047 0.561 0.730 1.000 1.000 CA 1.445 9 residues pruned to eliminate duplicates Z: 26 28.872 2.135 0.704 0.503 0.920 0.680 CB 1.721 26 residues pruned to eliminate duplicates Z: 16 26.046 2.199 1.109 0.544 0.867 0.733 CB 1.604 Z: 39 27.289 2.011 0.799 0.484 0.895 0.526 CB 1.391 55 residues pruned to eliminate duplicates Z: 10 2.580 1.552 0.033 0.217 0.778 0.556 CB 0.962 10 residues pruned to eliminate duplicates Z: 60 63.180 2.254 0.906 0.619 0.983 0.746 CB 1.741 62 residues pruned to eliminate duplicates Z: 8 7.390 1.696 0.767 0.753 0.857 0.286 CB 0.868 8 residues pruned to eliminate duplicates Z: 17 15.280 1.790 1.334 0.550 0.812 0.688 CB 1.072 17 residues pruned to eliminate duplicates Z: 56 71.835 2.392 1.010 0.673 0.982 0.818 CA 1.750 56 residues pruned to eliminate duplicates Z: 24 47.781 2.345 1.246 0.662 1.000 0.870 CA 1.627 24 residues pruned to eliminate duplicates Z: 9 23.243 2.033 1.239 0.671 1.000 1.000 CB 1.542 9 residues pruned to eliminate duplicates Z: 28 48.000 2.399 1.117 0.629 0.963 0.630 CA 1.672 28 residues pruned to eliminate duplicates Z: 15 8.303 1.849 0.762 0.276 0.786 0.500 CB 1.118 15 residues pruned to eliminate duplicates Z: 31 33.665 2.094 0.961 0.571 0.967 0.600 CB 1.446 31 residues pruned to eliminate duplicates Z: 45 41.744 2.112 0.940 0.598 0.886 0.659 CB 1.578 45 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 6.459 1.863 0.812 0.238 0.833 0.333 CB 1.270 7 residues pruned to eliminate duplicates Z: 27 34.980 2.122 1.165 0.645 0.885 0.462 CB 1.474 28 residues pruned to eliminate duplicates Z: 16 27.125 2.115 1.250 0.658 0.867 0.400 CB 1.466 16 residues pruned to eliminate duplicates Z: 35 40.203 2.125 0.908 0.681 0.941 0.588 CB 1.529 35 residues pruned to eliminate duplicates Z: 13 30.439 2.142 1.240 0.874 1.000 0.500 CB 1.334 13 residues pruned to eliminate duplicates Z: 35 26.464 2.148 0.748 0.518 0.824 0.471 CB 1.442 35 residues pruned to eliminate duplicates Z: 32 30.692 2.129 0.798 0.584 0.871 0.516 CB 1.524 32 residues pruned to eliminate duplicates Z: 28 41.338 2.154 1.276 0.660 0.889 0.630 CB 1.574 27 residues pruned to eliminate duplicates Z: 14 27.292 2.037 1.094 0.808 0.923 0.385 CA 1.469 14 residues pruned to eliminate duplicates Z: 57 46.650 2.179 1.076 0.566 0.875 0.518 CB 1.478 37 residues pruned to eliminate duplicates Z: 12 18.794 2.040 0.943 0.601 0.909 0.273 CB 1.428 12 residues pruned to eliminate duplicates Z: 89 57.788 2.202 0.852 0.546 0.898 0.602 CB 1.609 89 residues pruned to eliminate duplicates Z: 31 34.793 2.136 0.984 0.642 0.867 0.467 CB 1.514 31 residues pruned to eliminate duplicates Z: 103 57.179 2.174 0.712 0.575 0.912 0.598 CB 1.552 103 residues pruned to eliminate duplicates Z: 14 12.809 1.962 0.506 0.550 0.923 0.308 CB 1.241 14 residues pruned to eliminate duplicates Z: 62 47.141 2.164 0.669 0.594 0.951 0.607 CB 1.607 62 residues pruned to eliminate duplicates Z: 63 48.844 2.177 0.686 0.598 0.952 0.629 CB 1.618 63 residues pruned to eliminate duplicates Z: 11 19.675 2.112 0.867 0.631 0.900 0.500 CB 1.550 11 residues pruned to eliminate duplicates Z: 26 13.248 1.981 0.635 0.427 0.680 0.280 CB 1.297 26 residues pruned to eliminate duplicates Z: 16 12.841 1.910 0.478 0.511 0.867 0.200 CB 1.340 16 residues pruned to eliminate duplicates Z: 12 13.370 1.898 0.620 0.657 0.818 0.273 CB 1.385 12 residues pruned to eliminate duplicates Z: 16 16.467 1.842 0.766 0.584 0.933 0.267 CB 1.292 16 residues pruned to eliminate duplicates Z: 22 17.952 1.991 0.716 0.503 0.857 0.476 CB 1.334 22 residues pruned to eliminate duplicates Z: 7 8.517 2.046 1.177 0.193 0.833 0.500 CB 1.352 7 residues pruned to eliminate duplicates Z: 60 64.458 2.325 0.971 0.612 0.949 0.695 CB 1.735 60 residues pruned to eliminate duplicates Z: 63 68.815 2.356 1.018 0.601 0.968 0.774 CB 1.725 63 residues pruned to eliminate duplicates Z: 58 66.852 2.341 0.964 0.626 0.982 0.719 CB 1.741 58 residues pruned to eliminate duplicates Z: 57 62.956 2.383 0.903 0.610 0.964 0.714 CB 1.734 57 residues pruned to eliminate duplicates Z: 61 63.892 2.314 0.975 0.608 0.950 0.700 CB 1.714 61 residues pruned to eliminate duplicates Z: 98 64.079 2.161 0.942 0.611 0.907 0.649 CB 1.538 98 residues pruned to eliminate duplicates Z: 55 66.137 2.383 0.931 0.649 0.963 0.759 CB 1.767 55 residues pruned to eliminate duplicates Z: 122 89.196 2.316 0.938 0.615 0.959 0.727 CB 1.690 122 residues pruned to eliminate duplicates Z: 122 83.916 2.318 0.939 0.592 0.926 0.702 CB 1.679 122 residues pruned to eliminate duplicates Z: 65 65.425 2.330 0.977 0.597 0.938 0.719 CB 1.726 65 residues pruned to eliminate duplicates Z: 66 69.829 2.331 1.061 0.594 0.969 0.723 CB 1.700 66 residues pruned to eliminate duplicates Z: 66 61.822 2.293 0.950 0.590 0.938 0.677 CB 1.677 66 residues pruned to eliminate duplicates Z: 71 66.658 2.286 1.070 0.587 0.929 0.686 CB 1.668 71 residues pruned to eliminate duplicates Z: 61 66.381 2.314 0.981 0.606 0.983 0.750 CB 1.718 61 residues pruned to eliminate duplicates Z: 65 61.642 2.305 0.978 0.596 0.922 0.656 CB 1.673 65 residues pruned to eliminate duplicates Z: 67 63.842 2.290 0.947 0.595 0.955 0.712 CB 1.686 67 residues pruned to eliminate duplicates Z: 65 71.546 2.337 1.080 0.613 0.969 0.781 CB 1.707 65 residues pruned to eliminate duplicates Z: 67 65.010 2.313 1.001 0.589 0.955 0.758 CB 1.663 67 residues pruned to eliminate duplicates Z: 59 69.892 2.351 0.999 0.633 0.983 0.724 CB 1.753 59 residues pruned to eliminate duplicates Z: 115 86.661 2.335 0.862 0.617 0.965 0.746 CB 1.731 115 residues pruned to eliminate duplicates Z: 115 86.620 2.336 0.896 0.611 0.956 0.719 CB 1.725 115 residues pruned to eliminate duplicates Z: 117 84.452 2.321 0.859 0.609 0.957 0.716 CB 1.713 117 residues pruned to eliminate duplicates Z: 80 56.591 2.221 0.839 0.585 0.899 0.684 CB 1.599 80 residues pruned to eliminate duplicates Z: 62 55.845 2.268 0.826 0.618 0.918 0.738 CB 1.682 62 residues pruned to eliminate duplicates Z: 61 55.570 2.277 0.807 0.603 0.950 0.700 CB 1.664 61 residues pruned to eliminate duplicates Z: 66 60.852 2.302 0.813 0.597 0.954 0.738 CB 1.728 66 residues pruned to eliminate duplicates Z: 66 58.823 2.276 0.857 0.609 0.908 0.738 CB 1.715 66 residues pruned to eliminate duplicates Z: 67 59.295 2.285 0.898 0.601 0.894 0.712 CB 1.710 67 residues pruned to eliminate duplicates Z: 66 63.797 2.311 0.970 0.578 0.938 0.738 CB 1.717 66 residues pruned to eliminate duplicates Z: 55 57.455 2.268 0.806 0.659 0.981 0.759 CB 1.679 55 residues pruned to eliminate duplicates Z: 58 57.885 2.237 0.854 0.662 1.000 0.667 CB 1.591 58 residues pruned to eliminate duplicates Z: 117 82.011 2.312 0.872 0.605 0.940 0.707 CB 1.694 117 residues pruned to eliminate duplicates Z: 62 57.246 2.260 0.772 0.595 0.984 0.721 CB 1.698 62 residues pruned to eliminate duplicates Z: 67 53.802 2.259 0.772 0.564 0.955 0.636 CB 1.629 67 residues pruned to eliminate duplicates Z: 61 55.822 2.275 0.779 0.614 0.950 0.733 CB 1.684 61 residues pruned to eliminate duplicates Z: 101 67.229 2.221 0.928 0.587 0.920 0.650 CB 1.569 66 residues pruned to eliminate duplicates Z: 18 22.516 2.009 0.465 0.792 1.000 0.882 CB 1.436 18 residues pruned to eliminate duplicates Z: 57 60.582 2.276 0.851 0.663 1.000 0.714 CB 1.652 57 residues pruned to eliminate duplicates Z: 68 57.945 2.260 0.790 0.592 0.955 0.716 CB 1.679 68 residues pruned to eliminate duplicates Z: 70 55.309 2.258 0.830 0.553 0.942 0.696 CB 1.625 70 residues pruned to eliminate duplicates Z: 66 61.605 2.289 0.967 0.589 0.938 0.646 CB 1.660 66 residues pruned to eliminate duplicates Z: 62 51.055 2.246 0.819 0.581 0.902 0.623 CB 1.642 62 residues pruned to eliminate duplicates Z: 60 59.519 2.284 0.819 0.613 0.983 0.695 CB 1.704 60 residues pruned to eliminate duplicates Z: 67 57.489 2.252 0.865 0.585 0.939 0.712 CB 1.653 67 residues pruned to eliminate duplicates Z: 64 53.028 2.226 0.807 0.581 0.937 0.635 CB 1.640 64 residues pruned to eliminate duplicates Z: 63 60.819 2.273 0.896 0.586 0.952 0.629 CB 1.734 63 residues pruned to eliminate duplicates Z: 65 59.954 2.305 0.840 0.598 0.953 0.625 CB 1.688 65 residues pruned to eliminate duplicates Z: 65 59.301 2.304 0.889 0.588 0.938 0.719 CB 1.670 65 residues pruned to eliminate duplicates Z: 66 63.548 2.301 0.938 0.597 0.969 0.708 CB 1.662 66 residues pruned to eliminate duplicates Z: 62 58.718 2.264 0.841 0.609 0.967 0.623 CB 1.681 62 residues pruned to eliminate duplicates Z: 114 82.554 2.287 0.919 0.616 0.947 0.690 CB 1.673 114 residues pruned to eliminate duplicates Z: 61 38.691 2.094 0.638 0.557 0.900 0.500 CB 1.531 61 residues pruned to eliminate duplicates Z: 63 58.148 2.245 0.867 0.601 0.968 0.694 CB 1.653 63 residues pruned to eliminate duplicates Z: 61 62.056 2.277 0.910 0.618 0.967 0.600 CB 1.704 61 residues pruned to eliminate duplicates Z: 70 60.138 2.281 0.974 0.568 0.928 0.623 CB 1.624 70 residues pruned to eliminate duplicates Z: 123 87.901 2.309 0.981 0.608 0.934 0.672 CB 1.679 123 residues pruned to eliminate duplicates Z: 66 59.495 2.300 0.870 0.595 0.923 0.631 CB 1.698 66 residues pruned to eliminate duplicates Z: 67 57.845 2.269 0.868 0.575 0.939 0.621 CB 1.664 67 residues pruned to eliminate duplicates Z: 63 62.091 2.343 0.874 0.607 0.952 0.774 CB 1.706 63 residues pruned to eliminate duplicates Z: 51 46.063 2.176 0.810 0.644 0.940 0.660 CB 1.538 51 residues pruned to eliminate duplicates Z: 128 88.139 2.318 0.906 0.592 0.961 0.693 CB 1.688 128 residues pruned to eliminate duplicates Z: 66 62.636 2.306 0.909 0.594 0.938 0.662 CB 1.719 66 residues pruned to eliminate duplicates Z: 61 58.490 2.261 0.857 0.610 0.950 0.700 CB 1.706 61 residues pruned to eliminate duplicates Z: 67 51.221 2.239 0.797 0.573 0.909 0.636 CB 1.607 67 residues pruned to eliminate duplicates Z: 60 61.721 2.287 0.844 0.632 0.983 0.746 CB 1.711 60 residues pruned to eliminate duplicates Z: 58 55.956 2.271 0.788 0.629 0.965 0.667 CB 1.676 58 residues pruned to eliminate duplicates Z: 66 59.500 2.293 0.916 0.600 0.938 0.662 CB 1.627 66 residues pruned to eliminate duplicates Z: 65 65.743 2.305 0.932 0.628 0.953 0.641 CB 1.717 65 residues pruned to eliminate duplicates Z: 66 56.386 2.270 0.806 0.591 0.938 0.723 CB 1.666 66 residues pruned to eliminate duplicates Z: 59 62.169 2.313 0.855 0.641 1.000 0.776 CB 1.667 59 residues pruned to eliminate duplicates Z: 62 54.259 2.254 0.833 0.597 0.918 0.689 CB 1.671 62 residues pruned to eliminate duplicates Z: 70 54.607 2.215 0.854 0.595 0.913 0.638 CB 1.602 70 residues pruned to eliminate duplicates Z: 68 59.428 2.280 0.853 0.578 0.955 0.687 CB 1.669 68 residues pruned to eliminate duplicates Z: 63 59.434 2.266 0.885 0.621 0.952 0.694 CB 1.657 63 residues pruned to eliminate duplicates Z: 67 61.737 2.284 0.895 0.591 0.970 0.667 CB 1.660 67 residues pruned to eliminate duplicates Z: 8 4.286 1.749 0.611 0.202 0.857 0.429 CB 0.955 8 residues pruned to eliminate duplicates Z: 139 85.486 2.286 0.908 0.597 0.928 0.674 CB 1.641 139 residues pruned to eliminate duplicates Z: 71 55.116 2.284 0.777 0.581 0.929 0.657 CB 1.616 71 residues pruned to eliminate duplicates Z: 68 54.503 2.254 0.850 0.596 0.910 0.672 CB 1.601 68 residues pruned to eliminate duplicates Z: 69 58.683 2.289 0.868 0.596 0.926 0.647 CB 1.640 69 residues pruned to eliminate duplicates Z: 65 55.823 2.281 0.806 0.610 0.922 0.641 CB 1.655 65 residues pruned to eliminate duplicates Z: 14 16.548 2.218 0.821 0.362 0.846 0.462 CB 1.558 14 residues pruned to eliminate duplicates Z: 16 11.168 2.095 0.260 0.298 0.800 0.467 CB 1.711 16 residues pruned to eliminate duplicates Z: 9 9.410 1.959 0.703 0.532 0.750 0.250 CA 1.288 Z: 7 3.149 1.824 0.643 0.308 0.667 0.500 CB 0.796 Z: 6 3.010 1.579 0.619 0.145 0.800 0.600 CB 1.020 Z: 7 2.945 1.669 0.689 0.307 0.833 0.333 CA 0.634 7 residues pruned to eliminate duplicates Z: 66 59.910 2.329 0.906 0.585 0.908 0.754 CB 1.700 66 residues pruned to eliminate duplicates Z: 58 58.504 2.307 0.974 0.550 0.965 0.667 CB 1.680 58 residues pruned to eliminate duplicates Z: 128 87.661 2.313 0.922 0.593 0.961 0.677 CB 1.667 128 residues pruned to eliminate duplicates Z: 62 61.126 2.309 0.943 0.585 0.951 0.656 CB 1.692 62 residues pruned to eliminate duplicates Z: 64 63.059 2.341 0.831 0.616 0.968 0.746 CB 1.715 64 residues pruned to eliminate duplicates Z: 64 58.303 2.329 0.863 0.583 0.937 0.698 CB 1.669 64 residues pruned to eliminate duplicates Z: 67 60.911 2.307 0.821 0.582 0.985 0.788 CB 1.674 67 residues pruned to eliminate duplicates Z: 136 81.546 2.282 0.886 0.580 0.926 0.733 CB 1.630 136 residues pruned to eliminate duplicates Z: 61 61.077 2.341 0.881 0.599 0.950 0.700 CB 1.715 61 residues pruned to eliminate duplicates Z: 60 55.323 2.253 0.918 0.565 0.949 0.695 CB 1.650 60 residues pruned to eliminate duplicates Z: 64 66.625 2.350 0.917 0.600 0.984 0.714 CB 1.721 64 residues pruned to eliminate duplicates Z: 59 62.159 2.300 0.911 0.627 0.966 0.690 CB 1.707 59 residues pruned to eliminate duplicates Z: 65 64.902 2.348 0.932 0.597 0.953 0.766 CB 1.709 65 residues pruned to eliminate duplicates Z: 61 61.112 2.357 0.903 0.610 0.933 0.733 CB 1.699 61 residues pruned to eliminate duplicates Z: 62 64.879 2.310 0.979 0.600 0.967 0.672 CB 1.708 62 residues pruned to eliminate duplicates Z: 65 58.719 2.273 0.904 0.569 0.953 0.656 CB 1.664 65 residues pruned to eliminate duplicates Z: 66 66.114 2.315 1.021 0.593 0.938 0.723 CB 1.708 66 residues pruned to eliminate duplicates Z: 57 68.499 2.350 0.963 0.653 1.000 0.732 CB 1.721 57 residues pruned to eliminate duplicates Z: 37 50.892 2.275 0.891 0.725 0.972 0.722 CB 1.654 37 residues pruned to eliminate duplicates Z: 106 75.740 2.292 0.930 0.609 0.924 0.676 CB 1.631 106 residues pruned to eliminate duplicates Z: 65 62.726 2.334 0.938 0.588 0.938 0.734 CB 1.700 65 residues pruned to eliminate duplicates Z: 61 62.707 2.285 0.965 0.604 0.950 0.750 CB 1.719 61 residues pruned to eliminate duplicates Z: 64 69.535 2.345 1.005 0.620 0.968 0.730 CB 1.719 64 residues pruned to eliminate duplicates Z: 65 67.550 2.329 1.026 0.604 0.953 0.688 CB 1.701 65 residues pruned to eliminate duplicates Z: 124 91.532 2.317 0.945 0.623 0.951 0.724 CB 1.715 124 residues pruned to eliminate duplicates Z: 129 89.944 2.319 0.898 0.615 0.953 0.711 CB 1.700 129 residues pruned to eliminate duplicates Z: 73 59.891 2.321 0.949 0.568 0.903 0.681 CB 1.618 79 residues pruned to eliminate duplicates Z: 8 9.337 1.881 1.083 0.399 0.857 0.429 CB 1.169 Z: 15 33.419 2.032 1.125 0.882 0.929 0.643 CA 1.612 15 residues pruned to eliminate duplicates Z: 45 41.650 2.125 0.914 0.608 0.932 0.500 CB 1.495 45 residues pruned to eliminate duplicates Z: 15 29.447 2.136 0.980 0.719 0.929 0.571 CA 1.645 15 residues pruned to eliminate duplicates Z: 18 29.195 2.014 1.019 0.614 1.000 0.471 CB 1.563 18 residues pruned to eliminate duplicates Z: 61 56.163 2.206 1.094 0.615 0.883 0.650 CB 1.594 61 residues pruned to eliminate duplicates Z: 41 41.597 2.125 0.984 0.610 0.850 0.500 CB 1.654 41 residues pruned to eliminate duplicates Z: 32 32.254 2.034 1.082 0.547 0.839 0.452 CB 1.557 32 residues pruned to eliminate duplicates Z: 25 29.729 2.073 0.877 0.660 0.833 0.625 CB 1.615 25 residues pruned to eliminate duplicates Z: 42 32.065 2.038 0.916 0.569 0.829 0.537 CB 1.447 42 residues pruned to eliminate duplicates Z: 30 32.417 2.042 0.828 0.652 0.897 0.621 CA 1.561 30 residues pruned to eliminate duplicates Z: 95 68.409 2.205 0.958 0.630 0.926 0.713 CB 1.562 95 residues pruned to eliminate duplicates Z: 40 46.187 2.134 0.938 0.674 0.923 0.641 CB 1.649 40 residues pruned to eliminate duplicates Z: 12 11.652 1.839 0.574 0.664 0.818 0.545 CA 1.274 12 residues pruned to eliminate duplicates Z: 43 41.685 2.167 0.896 0.634 0.905 0.500 CB 1.526 43 residues pruned to eliminate duplicates Z: 54 47.366 2.192 1.002 0.593 0.811 0.472 CB 1.672 36 residues pruned to eliminate duplicates Z: 13 15.906 1.832 0.516 0.808 1.000 0.417 CB 1.263 13 residues pruned to eliminate duplicates Z: 24 16.562 1.872 0.444 0.529 0.913 0.435 CB 1.360 24 residues pruned to eliminate duplicates Z: 43 27.648 2.029 0.752 0.471 0.786 0.429 CB 1.573 43 residues pruned to eliminate duplicates Z: 38 28.009 2.004 0.836 0.542 0.865 0.432 CB 1.389 38 residues pruned to eliminate duplicates Z: 35 41.937 2.204 1.013 0.668 0.853 0.647 CB 1.627 35 residues pruned to eliminate duplicates Z: 12 15.054 1.877 0.680 0.668 0.909 0.455 CB 1.356 12 residues pruned to eliminate duplicates Z: 11 5.953 1.904 0.371 0.266 0.800 0.100 CB 1.176 11 residues pruned to eliminate duplicates Z: 9 4.169 1.850 0.449 0.339 0.625 0.375 CB 1.048 9 residues pruned to eliminate duplicates Z: 9 7.036 1.937 0.349 0.383 0.875 0.250 CB 1.232 9 residues pruned to eliminate duplicates Z: 61 50.022 2.218 0.783 0.598 0.950 0.683 CB 1.566 61 residues pruned to eliminate duplicates Z: 16 10.652 2.011 0.715 0.186 0.800 0.400 CB 1.454 11 residues pruned to eliminate duplicates Z: 6 3.951 1.626 0.695 0.463 1.000 0.800 CA 0.666 6 residues pruned to eliminate duplicates Z: 60 60.659 2.219 1.076 0.624 0.983 0.763 CB 1.551 60 residues pruned to eliminate duplicates Z: 63 61.045 2.277 0.977 0.615 0.984 0.694 CB 1.569 63 residues pruned to eliminate duplicates Z: 11 3.945 1.683 0.408 0.181 0.800 0.400 CA 0.966 11 residues pruned to eliminate duplicates Z: 51 53.655 2.270 0.914 0.617 0.980 0.700 CB 1.596 51 residues pruned to eliminate duplicates Z: 60 55.282 2.247 0.885 0.626 0.966 0.729 CB 1.562 60 residues pruned to eliminate duplicates Z: 50 50.820 2.286 0.855 0.613 0.959 0.755 CB 1.603 50 residues pruned to eliminate duplicates Z: 59 53.740 2.254 0.859 0.637 0.948 0.810 CB 1.562 59 residues pruned to eliminate duplicates Z: 62 59.506 2.261 0.937 0.615 0.967 0.770 CB 1.614 62 residues pruned to eliminate duplicates Z: 65 56.045 2.214 0.943 0.596 0.953 0.750 CB 1.559 65 residues pruned to eliminate duplicates Z: 59 55.270 2.256 0.909 0.628 0.966 0.776 CB 1.548 59 residues pruned to eliminate duplicates Z: 41 47.933 2.197 0.921 0.681 0.975 0.675 CB 1.559 41 residues pruned to eliminate duplicates Z: 59 53.697 2.239 0.850 0.630 0.966 0.776 CB 1.560 59 residues pruned to eliminate duplicates Z: 61 52.423 2.221 0.854 0.617 0.933 0.733 CB 1.577 61 residues pruned to eliminate duplicates Z: 63 50.562 2.163 0.873 0.596 0.952 0.694 CB 1.519 63 residues pruned to eliminate duplicates Z: 75 49.857 2.184 0.791 0.542 0.905 0.662 CB 1.571 75 residues pruned to eliminate duplicates Z: 60 59.816 2.287 1.007 0.621 0.949 0.780 CB 1.594 60 residues pruned to eliminate duplicates Z: 58 59.282 2.265 0.936 0.643 0.982 0.825 CB 1.595 58 residues pruned to eliminate duplicates Z: 62 55.510 2.217 0.970 0.596 0.951 0.721 CB 1.562 62 residues pruned to eliminate duplicates Z: 41 48.204 2.217 0.966 0.679 0.975 0.775 CB 1.522 41 residues pruned to eliminate duplicates Z: 61 52.175 2.236 0.826 0.614 0.950 0.683 CB 1.559 61 residues pruned to eliminate duplicates Z: 61 53.137 2.219 0.877 0.612 0.933 0.750 CB 1.587 61 residues pruned to eliminate duplicates Z: 59 55.138 2.243 0.901 0.638 0.948 0.724 CB 1.573 59 residues pruned to eliminate duplicates Z: 82 56.151 2.151 0.872 0.593 0.926 0.691 CB 1.531 82 residues pruned to eliminate duplicates Z: 64 58.929 2.265 0.942 0.615 0.952 0.778 CB 1.589 64 residues pruned to eliminate duplicates Z: 63 54.725 2.214 0.872 0.616 0.968 0.742 CB 1.553 63 residues pruned to eliminate duplicates Z: 61 56.240 2.261 0.994 0.620 0.933 0.783 CB 1.541 61 residues pruned to eliminate duplicates Z: 103 71.644 2.215 0.937 0.609 0.922 0.657 CB 1.618 68 residues pruned to eliminate duplicates Z: 14 31.735 2.237 0.724 0.938 1.000 0.846 CB 1.587 14 residues pruned to eliminate duplicates Z: 60 56.488 2.269 0.910 0.619 0.949 0.746 CB 1.597 60 residues pruned to eliminate duplicates Z: 64 53.222 2.179 0.930 0.610 0.937 0.762 CB 1.534 64 residues pruned to eliminate duplicates Z: 70 56.308 2.225 0.932 0.574 0.957 0.681 CB 1.536 70 residues pruned to eliminate duplicates Z: 58 60.610 2.276 1.003 0.633 0.982 0.772 CB 1.581 58 residues pruned to eliminate duplicates Z: 59 53.216 2.248 0.868 0.611 0.966 0.672 CB 1.551 59 residues pruned to eliminate duplicates Z: 62 60.844 2.261 1.039 0.607 0.951 0.721 CB 1.605 62 residues pruned to eliminate duplicates Z: 69 59.851 2.256 0.979 0.584 0.956 0.735 CB 1.569 69 residues pruned to eliminate duplicates Z: 69 56.360 2.225 0.916 0.572 0.956 0.706 CB 1.565 69 residues pruned to eliminate duplicates Z: 59 58.868 2.250 0.960 0.627 0.983 0.672 CB 1.583 59 residues pruned to eliminate duplicates Z: 57 56.544 2.226 0.963 0.640 0.964 0.732 CB 1.573 57 residues pruned to eliminate duplicates Z: 57 61.507 2.257 0.975 0.643 0.982 0.786 CB 1.641 57 residues pruned to eliminate duplicates Z: 63 58.799 2.260 0.984 0.595 0.984 0.774 CB 1.546 63 residues pruned to eliminate duplicates Z: 65 58.186 2.224 0.959 0.605 0.969 0.688 CB 1.560 65 residues pruned to eliminate duplicates Z: 63 62.972 2.273 1.038 0.604 0.968 0.710 CB 1.615 63 residues pruned to eliminate duplicates Z: 58 64.375 2.271 1.051 0.649 1.000 0.807 CB 1.594 58 residues pruned to eliminate duplicates Z: 68 61.875 2.243 1.022 0.601 0.970 0.687 CB 1.561 68 residues pruned to eliminate duplicates Z: 58 57.392 2.261 0.946 0.607 1.000 0.719 CB 1.561 58 residues pruned to eliminate duplicates Z: 61 60.012 2.243 1.009 0.617 0.983 0.800 CB 1.565 61 residues pruned to eliminate duplicates Z: 58 57.643 2.255 0.966 0.646 0.965 0.772 CB 1.557 58 residues pruned to eliminate duplicates Z: 67 61.057 2.213 1.033 0.657 0.939 0.803 CB 1.536 67 residues pruned to eliminate duplicates Z: 54 58.447 2.272 1.017 0.651 0.962 0.717 CB 1.582 54 residues pruned to eliminate duplicates Z: 36 39.783 2.073 1.024 0.684 0.857 0.514 CB 1.580 36 residues pruned to eliminate duplicates Z: 90 76.191 2.224 1.071 0.661 0.944 0.674 CB 1.601 36 residues pruned to eliminate duplicates Z: 6 6.491 1.812 0.983 0.286 0.800 0.400 C 1.284 6 residues pruned to eliminate duplicates Z: 29 40.939 2.157 1.251 0.664 0.857 0.500 CB 1.597 29 residues pruned to eliminate duplicates Z: 37 29.128 2.035 0.915 0.598 0.806 0.417 CB 1.409 37 residues pruned to eliminate duplicates Z: 43 40.315 2.152 0.846 0.623 0.881 0.500 CB 1.582 43 residues pruned to eliminate duplicates Z: 36 43.906 2.192 0.992 0.680 0.914 0.657 CB 1.576 36 residues pruned to eliminate duplicates Z: 26 51.013 2.196 1.272 0.714 0.960 0.680 CA 1.754 26 residues pruned to eliminate duplicates Z: 49 41.315 2.128 1.129 0.517 0.833 0.500 CB 1.553 49 residues pruned to eliminate duplicates Z: 33 34.819 2.278 0.983 0.502 0.812 0.469 CA 1.673 33 residues pruned to eliminate duplicates Z: 43 40.941 2.191 0.923 0.516 0.905 0.643 CB 1.631 43 residues pruned to eliminate duplicates Z: 100 82.621 2.291 1.019 0.622 0.939 0.677 CB 1.703 100 residues pruned to eliminate duplicates Z: 42 45.101 2.232 1.034 0.612 0.927 0.537 CB 1.505 33 residues pruned to eliminate duplicates Z: 17 28.638 2.121 1.197 0.653 0.875 0.438 CB 1.523 17 residues pruned to eliminate duplicates Z: 29 39.585 2.258 1.044 0.636 0.893 0.464 CB 1.597 30 residues pruned to eliminate duplicates Z: 14 39.525 2.267 0.941 0.882 1.000 0.769 CB 1.803 14 residues pruned to eliminate duplicates Z: 90 87.506 2.345 1.074 0.628 0.966 0.730 CA 1.749 90 residues pruned to eliminate duplicates Z: 30 38.005 2.282 1.175 0.625 0.793 0.517 CB 1.593 30 residues pruned to eliminate duplicates Z: 26 36.889 2.243 1.166 0.654 0.880 0.480 CB 1.495 25 residues pruned to eliminate duplicates Z: 13 35.404 2.248 1.217 0.849 1.000 0.667 CA 1.520 13 residues pruned to eliminate duplicates Z: 13 40.160 2.331 1.300 0.819 1.000 0.583 CB 1.640 13 residues pruned to eliminate duplicates Z: 90 79.853 2.315 1.032 0.625 0.944 0.697 CB 1.695 132 residues pruned to eliminate duplicates Z: 38 33.730 2.228 0.948 0.527 0.865 0.459 CB 1.438 Z: 42 49.623 2.220 1.230 0.640 0.927 0.610 CB 1.482 30 residues pruned to eliminate duplicates Z: 24 42.052 2.328 1.221 0.676 0.913 0.652 CB 1.579 24 residues pruned to eliminate duplicates Z: 18 41.280 2.408 1.137 0.691 0.941 0.353 CB 1.736 18 residues pruned to eliminate duplicates Z: 30 30.357 2.112 0.878 0.583 0.897 0.517 CB 1.464 30 residues pruned to eliminate duplicates Z: 25 35.064 2.189 0.907 0.725 0.875 0.667 CB 1.599 25 residues pruned to eliminate duplicates Z: 29 30.560 2.208 0.744 0.651 0.857 0.393 CB 1.521 29 residues pruned to eliminate duplicates Z: 26 26.108 2.268 0.924 0.570 0.800 0.400 CB 1.397 26 residues pruned to eliminate duplicates Z: 40 35.529 2.119 0.960 0.572 0.897 0.615 CB 1.423 40 residues pruned to eliminate duplicates Z: 12 17.596 2.262 1.048 0.604 0.727 0.545 CB 1.426 12 residues pruned to eliminate duplicates Z: 12 17.870 2.237 0.935 0.556 0.818 0.455 CB 1.440 12 residues pruned to eliminate duplicates Z: 23 18.189 2.031 0.702 0.584 0.773 0.500 CB 1.339 23 residues pruned to eliminate duplicates Z: 11 22.294 2.274 1.328 0.643 0.900 0.500 CB 1.295 11 residues pruned to eliminate duplicates Z: 75 64.826 2.334 1.032 0.590 0.878 0.595 CB 1.660 125 residues pruned to eliminate duplicates Z: 15 12.517 2.029 0.932 0.510 0.714 0.357 CB 1.183 Z: 6 3.360 1.605 0.507 0.451 0.600 0.600 CB 1.089 7 residues pruned to eliminate duplicates Z: 6 4.385 1.518 0.638 0.302 1.000 0.600 CB 0.983 Z: 6 2.814 1.472 0.093 0.353 1.000 0.600 CA 0.917 6 residues pruned to eliminate duplicates Z: 65 68.228 2.393 0.960 0.597 0.953 0.719 CA 1.738 65 residues pruned to eliminate duplicates Z: 67 69.118 2.366 1.034 0.579 0.955 0.682 CA 1.716 73 residues pruned to eliminate duplicates Z: 65 68.993 2.385 0.991 0.594 0.953 0.672 CA 1.742 65 residues pruned to eliminate duplicates Z: 66 67.524 2.355 1.013 0.604 0.938 0.692 CA 1.706 66 residues pruned to eliminate duplicates Z: 65 66.504 2.375 0.917 0.598 0.938 0.688 CA 1.773 65 residues pruned to eliminate duplicates Z: 66 69.560 2.360 0.996 0.588 0.969 0.723 CA 1.737 66 residues pruned to eliminate duplicates Z: 66 67.607 2.357 0.987 0.573 0.954 0.723 CA 1.749 66 residues pruned to eliminate duplicates Z: 66 70.198 2.383 1.059 0.574 0.938 0.708 CA 1.760 66 residues pruned to eliminate duplicates Z: 64 77.265 2.421 1.061 0.596 0.984 0.714 CA 1.810 64 residues pruned to eliminate duplicates Z: 65 74.096 2.403 1.016 0.602 0.969 0.734 CB 1.790 65 residues pruned to eliminate duplicates Z: 68 64.544 2.349 0.945 0.585 0.940 0.657 CA 1.692 68 residues pruned to eliminate duplicates Z: 66 67.370 2.365 0.962 0.593 0.954 0.708 CB 1.728 66 residues pruned to eliminate duplicates Z: 105 72.916 2.247 1.035 0.563 0.942 0.692 CB 1.561 119 residues pruned to eliminate duplicates Z: 66 73.418 2.379 0.951 0.604 0.985 0.738 CA 1.806 66 residues pruned to eliminate duplicates Z: 80 74.957 2.348 1.163 0.573 0.937 0.646 CB 1.652 80 residues pruned to eliminate duplicates Z: 66 69.868 2.368 1.023 0.583 0.969 0.677 CB 1.723 66 residues pruned to eliminate duplicates Z: 65 70.913 2.393 1.035 0.591 0.938 0.625 CB 1.780 65 residues pruned to eliminate duplicates Z: 65 69.931 2.388 0.982 0.596 0.953 0.641 CA 1.769 65 residues pruned to eliminate duplicates Z: 114 90.192 2.360 0.932 0.602 0.956 0.708 CB 1.766 114 residues pruned to eliminate duplicates Z: 66 69.434 2.386 0.982 0.576 0.938 0.692 CB 1.804 66 residues pruned to eliminate duplicates Z: 66 70.960 2.375 1.026 0.596 0.969 0.692 CA 1.722 66 residues pruned to eliminate duplicates Z: 59 66.074 2.386 0.911 0.610 0.948 0.655 CA 1.807 59 residues pruned to eliminate duplicates Z: 64 70.516 2.383 1.037 0.589 0.968 0.698 CA 1.736 64 residues pruned to eliminate duplicates Z: 67 69.774 2.353 0.946 0.594 0.970 0.667 CB 1.768 67 residues pruned to eliminate duplicates Z: 67 67.256 2.358 1.025 0.564 0.939 0.591 CA 1.735 67 residues pruned to eliminate duplicates Z: 66 73.455 2.378 1.061 0.590 0.969 0.677 CA 1.760 66 residues pruned to eliminate duplicates Z: 65 71.637 2.395 1.054 0.596 0.938 0.641 CA 1.773 65 residues pruned to eliminate duplicates Z: 70 66.758 2.360 0.968 0.581 0.913 0.667 CA 1.753 70 residues pruned to eliminate duplicates Z: 65 69.665 2.404 0.983 0.584 0.938 0.688 CB 1.797 65 residues pruned to eliminate duplicates Z: 127 97.804 2.344 1.028 0.591 0.968 0.635 CB 1.735 127 residues pruned to eliminate duplicates Z: 65 71.596 2.367 1.071 0.591 0.953 0.719 CB 1.756 65 residues pruned to eliminate duplicates Z: 66 73.224 2.397 1.043 0.588 0.969 0.631 CB 1.758 66 residues pruned to eliminate duplicates Z: 61 68.398 2.386 1.004 0.595 0.967 0.600 CB 1.744 61 residues pruned to eliminate duplicates Z: 66 64.803 2.368 0.931 0.568 0.938 0.677 CA 1.754 66 residues pruned to eliminate duplicates Z: 57 69.149 2.388 1.019 0.640 0.929 0.732 CB 1.811 57 residues pruned to eliminate duplicates Z: 67 68.394 2.362 1.053 0.559 0.970 0.606 CB 1.690 67 residues pruned to eliminate duplicates Z: 60 63.820 2.366 0.908 0.604 0.949 0.678 CA 1.757 60 residues pruned to eliminate duplicates Z: 80 70.555 2.316 1.058 0.562 0.899 0.671 CB 1.745 80 residues pruned to eliminate duplicates Z: 65 68.689 2.398 1.019 0.590 0.922 0.719 CA 1.765 65 residues pruned to eliminate duplicates Z: 58 69.724 2.378 0.957 0.630 0.982 0.684 CB 1.787 58 residues pruned to eliminate duplicates Z: 66 70.031 2.369 0.981 0.582 0.969 0.615 CB 1.765 66 residues pruned to eliminate duplicates Z: 67 68.104 2.359 1.048 0.568 0.939 0.652 CA 1.731 67 residues pruned to eliminate duplicates Z: 46 23.137 2.008 0.660 0.343 0.800 0.533 CB 1.534 46 residues pruned to eliminate duplicates Z: 64 68.416 2.391 0.926 0.590 0.984 0.651 CB 1.744 64 residues pruned to eliminate duplicates Z: 67 69.647 2.365 0.988 0.592 0.955 0.727 CB 1.750 67 residues pruned to eliminate duplicates Z: 59 68.672 2.415 1.064 0.622 0.914 0.638 CA 1.765 59 residues pruned to eliminate duplicates Z: 66 68.356 2.383 0.981 0.585 0.938 0.677 CA 1.764 66 residues pruned to eliminate duplicates Z: 123 91.787 2.328 0.912 0.615 0.951 0.680 CA 1.762 123 residues pruned to eliminate duplicates Z: 59 65.862 2.391 0.860 0.600 0.983 0.655 CA 1.798 59 residues pruned to eliminate duplicates Z: 63 60.665 2.364 0.846 0.578 0.935 0.677 CB 1.751 63 residues pruned to eliminate duplicates Z: 64 67.944 2.409 0.945 0.586 0.937 0.667 CA 1.796 64 residues pruned to eliminate duplicates Z: 61 68.068 2.384 0.987 0.594 0.950 0.683 CA 1.784 61 residues pruned to eliminate duplicates Z: 59 65.502 2.394 0.943 0.598 0.948 0.655 CA 1.776 59 residues pruned to eliminate duplicates Z: 63 55.817 2.300 0.940 0.540 0.887 0.629 CB 1.722 63 residues pruned to eliminate duplicates Z: 8 2.412 1.737 0.569 0.180 0.714 0.286 CB 0.689 8 residues pruned to eliminate duplicates Z: 64 59.990 2.298 0.786 0.580 0.968 0.714 CB 1.762 64 residues pruned to eliminate duplicates Z: 118 88.414 2.345 0.906 0.590 0.949 0.718 CB 1.768 118 residues pruned to eliminate duplicates Z: 64 59.463 2.298 0.774 0.589 0.968 0.778 CB 1.742 64 residues pruned to eliminate duplicates Z: 65 57.539 2.264 0.820 0.564 0.953 0.672 CB 1.721 65 residues pruned to eliminate duplicates Z: 67 55.818 2.271 0.758 0.566 0.939 0.652 CA 1.718 67 residues pruned to eliminate duplicates Z: 64 57.457 2.276 0.835 0.561 0.952 0.698 CB 1.715 64 residues pruned to eliminate duplicates Z: 65 57.604 2.293 0.838 0.572 0.922 0.703 CA 1.729 65 residues pruned to eliminate duplicates Z: 65 63.278 2.289 0.858 0.598 0.969 0.750 CB 1.749 65 residues pruned to eliminate duplicates Z: 66 53.703 2.289 0.697 0.570 0.954 0.692 CB 1.680 66 residues pruned to eliminate duplicates Z: 118 83.664 2.307 0.929 0.586 0.915 0.667 CB 1.750 118 residues pruned to eliminate duplicates Z: 121 90.504 2.346 0.910 0.593 0.950 0.717 CB 1.775 121 residues pruned to eliminate duplicates Z: 66 55.747 2.271 0.786 0.554 0.938 0.723 CB 1.724 66 residues pruned to eliminate duplicates Z: 64 57.626 2.267 0.799 0.574 0.968 0.698 CB 1.712 64 residues pruned to eliminate duplicates Z: 65 54.935 2.290 0.758 0.572 0.922 0.719 CB 1.725 65 residues pruned to eliminate duplicates Z: 64 54.946 2.239 0.756 0.580 0.952 0.714 CB 1.711 64 residues pruned to eliminate duplicates Z: 121 93.324 2.366 0.932 0.591 0.950 0.642 CB 1.798 89 residues pruned to eliminate duplicates Z: 13 28.111 2.332 0.550 0.779 1.000 0.833 CA 1.755 13 residues pruned to eliminate duplicates Z: 47 41.956 2.202 0.638 0.606 0.935 0.652 CB 1.659 47 residues pruned to eliminate duplicates Z: 101 85.413 2.351 0.919 0.626 0.960 0.690 CB 1.751 101 residues pruned to eliminate duplicates Z: 122 88.765 2.352 0.894 0.587 0.950 0.744 CB 1.753 122 residues pruned to eliminate duplicates Z: 65 57.061 2.281 0.796 0.575 0.953 0.688 CB 1.700 65 residues pruned to eliminate duplicates Z: 64 64.537 2.309 0.864 0.585 0.984 0.683 CB 1.769 64 residues pruned to eliminate duplicates Z: 66 57.606 2.256 0.889 0.547 0.923 0.631 CB 1.734 66 residues pruned to eliminate duplicates Z: 123 97.299 2.357 0.990 0.589 0.967 0.697 CA 1.783 123 residues pruned to eliminate duplicates Z: 63 60.142 2.275 0.924 0.576 0.935 0.677 CB 1.734 63 residues pruned to eliminate duplicates Z: 65 63.139 2.291 0.914 0.565 0.953 0.688 CA 1.772 65 residues pruned to eliminate duplicates Z: 67 58.460 2.255 0.757 0.604 0.970 0.758 CB 1.696 67 residues pruned to eliminate duplicates Z: 64 58.759 2.289 0.909 0.558 0.937 0.619 CB 1.710 64 residues pruned to eliminate duplicates Z: 70 61.238 2.262 0.867 0.566 0.971 0.725 CB 1.687 79 residues pruned to eliminate duplicates Z: 64 60.669 2.275 0.815 0.600 0.968 0.635 CB 1.738 64 residues pruned to eliminate duplicates Z: 66 57.355 2.277 0.889 0.556 0.923 0.585 CB 1.698 66 residues pruned to eliminate duplicates Z: 72 49.622 2.202 0.756 0.534 0.915 0.648 CB 1.610 72 residues pruned to eliminate duplicates Z: 121 84.345 2.313 0.880 0.571 0.942 0.658 CB 1.756 121 residues pruned to eliminate duplicates Z: 66 53.100 2.193 0.767 0.557 0.969 0.662 CB 1.659 66 residues pruned to eliminate duplicates Z: 65 59.736 2.260 0.870 0.574 0.953 0.672 CB 1.726 65 residues pruned to eliminate duplicates Z: 66 61.180 2.275 0.905 0.586 0.954 0.646 CB 1.691 66 residues pruned to eliminate duplicates Z: 61 58.388 2.256 0.901 0.591 0.933 0.600 CA 1.726 61 residues pruned to eliminate duplicates Z: 122 96.925 2.360 0.986 0.598 0.959 0.661 CA 1.786 119 residues pruned to eliminate duplicates Z: 12 15.009 1.994 0.544 0.807 0.818 0.545 CA 1.375 12 residues pruned to eliminate duplicates Z: 64 58.781 2.305 0.841 0.585 0.921 0.667 CB 1.747 64 residues pruned to eliminate duplicates Z: 65 57.950 2.278 0.788 0.582 0.953 0.656 CB 1.724 65 residues pruned to eliminate duplicates Z: 61 61.720 2.266 0.858 0.608 1.000 0.733 CB 1.709 61 residues pruned to eliminate duplicates Z: 61 58.236 2.280 0.820 0.587 0.967 0.750 CB 1.724 61 residues pruned to eliminate duplicates Z: 65 62.004 2.299 0.885 0.574 0.953 0.641 CB 1.747 65 residues pruned to eliminate duplicates Z: 65 61.753 2.299 0.847 0.577 0.953 0.625 CB 1.771 65 residues pruned to eliminate duplicates Z: 52 42.417 2.158 0.682 0.573 0.922 0.647 CB 1.656 18 residues pruned to eliminate duplicates Z: 7 5.856 1.821 0.604 0.364 0.833 0.500 CA 1.137 Z: 6 3.145 1.648 0.717 0.299 0.600 0.400 C 1.037 Z: 6 5.852 1.779 0.706 0.262 0.800 0.600 N 1.415 Z: 111 88.935 2.352 0.881 0.619 0.955 0.691 CA 1.796 130 residues pruned to eliminate duplicates Z: 63 61.911 2.245 0.878 0.599 0.984 0.677 CA 1.724 63 residues pruned to eliminate duplicates Z: 65 63.289 2.274 0.907 0.595 0.953 0.672 CB 1.748 65 residues pruned to eliminate duplicates Z: 64 61.129 2.290 0.842 0.607 0.952 0.714 CB 1.731 64 residues pruned to eliminate duplicates Z: 64 63.901 2.305 0.835 0.619 0.968 0.730 CB 1.756 64 residues pruned to eliminate duplicates Z: 130 85.913 2.309 0.864 0.601 0.930 0.713 CB 1.717 130 residues pruned to eliminate duplicates Z: 65 65.051 2.370 0.913 0.573 0.953 0.625 CB 1.754 65 residues pruned to eliminate duplicates Z: 67 72.394 2.340 1.092 0.600 0.955 0.758 CB 1.734 67 residues pruned to eliminate duplicates Z: 59 67.686 2.381 0.999 0.593 0.966 0.621 CB 1.769 59 residues pruned to eliminate duplicates Z: 67 68.477 2.368 1.018 0.576 0.955 0.667 CA 1.717 67 residues pruned to eliminate duplicates Z: 65 70.998 2.377 1.015 0.605 0.953 0.734 CA 1.760 65 residues pruned to eliminate duplicates 436 residues left after pruning, divided into chains as follows: A: 7 B: 42 C: 112 D: 44 E: 7 F: 57 G: 31 H: 6 I: 115 J: 7 K: 8 CC for partial structure against native data = 34.50 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.438, Connect. = 0.713 for dens.mod. cycle 1 = 0.300, Contrast = 0.512, Connect. = 0.745 for dens.mod. cycle 2 = 0.300, Contrast = 0.604, Connect. = 0.779 for dens.mod. cycle 3 = 0.300, Contrast = 0.613, Connect. = 0.783 for dens.mod. cycle 4 = 0.300, Contrast = 0.623, Connect. = 0.787 for dens.mod. cycle 5 = 0.300, Contrast = 0.626, Connect. = 0.789 for dens.mod. cycle 6 = 0.300, Contrast = 0.631, Connect. = 0.791 for dens.mod. cycle 7 = 0.300, Contrast = 0.632, Connect. = 0.793 for dens.mod. cycle 8 = 0.300, Contrast = 0.634, Connect. = 0.794 for dens.mod. cycle 9 = 0.300, Contrast = 0.634, Connect. = 0.795 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.95 - 3.12 - 2.72 - 2.46 - 2.28 - 2.15 - 2.04 - 1.95 - 1.87 - 1.81 0.711 0.730 0.726 0.738 0.756 0.742 0.740 0.737 0.722 0.691 0.884 0.893 0.904 0.910 0.918 0.902 0.901 0.910 0.896 0.869 N 6476 6450 6400 6652 6502 6187 6481 6453 6806 5969 Estimated mean FOM = 0.730 Pseudo-free CC = 75.32 % Best trace (cycle 1 with CC 38.42%) was saved as ./1vqs-1.8-parrot-hancs/1vqs-1.8-parrot-hancs.pdb ============================================================================== CPU times required in seconds ----------------------------- 4.2 - Setup, data input and phasing 58.8 - FFTs and peak-searches 41.9 - Sphere of influence 0.7 - Rest of density modification 0.0 - Alpha-helix search 2000.3 - Tripeptide search 17825.6 - Chain tracing 0.0 - NCS analysis 71.3 - B-value refinement for trace 0.9 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 21:50:51 Total time: 20003.80 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 335.15 Used memory is bytes: 8808904