data_1in2_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1in2 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -55.48 -47.2 76.52 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.346 0.658 . . . . 0.0 111.301 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 47.4 p-90 -62.03 -38.36 88.4 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.916 0.486 . . . . 0.0 111.836 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.2 mt -64.67 -42.35 95.43 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 122.642 0.377 . . . . 0.0 110.828 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.07 -45.55 92.52 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.363 0.529 . . . . 0.0 111.154 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -58.69 -47.95 82.78 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.234 0.614 . . . . 0.0 110.761 173.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -58.25 -45.01 88.57 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.254 1.021 . . . . 0.0 111.263 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 . . . . . 0 CA--C 1.529 0.161 0 C-N-CA 123.818 0.847 . . . . 0.0 109.958 177.606 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.457 -0.115 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -52.63 -50.08 63.87 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.373 1.069 . . . . 0.0 111.195 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -64.45 -38.73 92.05 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.018 0.527 . . . . 0.0 111.755 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.3 mt -63.25 -42.66 99.21 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 122.853 0.461 . . . . 0.0 110.906 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.49 98.68 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.139 0.576 . . . . 0.0 111.178 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -57.12 -49.73 75.01 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 122.915 0.486 . . . . 0.0 110.564 172.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -58.18 -44.17 87.86 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.238 1.015 . . . . 0.0 111.372 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 . . . . . 0 CA--C 1.529 0.143 0 C-N-CA 123.606 0.763 . . . . 0.0 110.748 -179.153 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.4 tp . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -50.81 -49.69 58.01 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 123.897 0.879 . . . . 0.0 110.972 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.4 p-90 -57.03 -42.76 81.04 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.863 0.865 . . . . 0.0 112.197 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.43 -47.98 77.05 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 122.766 0.426 . . . . 0.0 110.958 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.13 -44.85 92.06 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.03 0.532 . . . . 0.0 111.444 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -57.69 -48.97 78.03 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.02 0.928 . . . . 0.0 110.585 173.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -58.26 -44.21 88.27 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.012 0.925 . . . . 0.0 111.317 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 . . . . . 0 CA--C 1.531 0.232 0 C-N-CA 123.779 0.832 . . . . 0.0 110.628 -178.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.2 tp . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -58.31 -32.15 68.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.295 0.638 . . . . 0.0 112.398 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.3 p-90 -60.15 -43.39 95.8 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.523 0.602 . . . . 0.0 111.232 173.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.22 -45.29 85.3 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 122.883 0.473 . . . . 0.0 110.719 174.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.94 84.3 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.84 0.456 . . . . 0.0 111.465 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -58.75 -53.06 62.62 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.264 1.026 . . . . 0.0 110.363 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -53.84 -46.64 71.28 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.609 1.163 . . . . 0.0 111.879 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 . . . . . 0 CA--C 1.53 0.18 0 C-N-CA 123.96 0.904 . . . . 0.0 110.891 -179.355 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -49.65 -46.27 49.45 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.799 1.24 . . . . 0.0 111.535 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 29.4 p-90 -59.48 -42.46 92.13 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.496 0.718 . . . . 0.0 111.838 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.4 mt -66.24 -41.36 90.12 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 123.319 0.648 . . . . 0.0 111.199 176.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.93 -48.53 81.15 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.239 0.472 . . . . 0.0 110.654 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -58.28 -43.46 87.99 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.654 0.782 . . . . 0.0 111.084 174.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -58.3 -44.46 88.57 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.345 0.658 . . . . 0.0 110.836 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 . . . . . 0 CA--C 1.531 0.223 0 C-N-CA 123.62 0.768 . . . . 0.0 110.794 179.721 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 tp . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 119.43 -0.319 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -53.97 -47.73 71.06 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.463 0.705 . . . . 0.0 110.973 174.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -61.03 -42.43 98.45 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.487 0.715 . . . . 0.0 111.79 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 40.5 mt -62.69 -43.37 98.98 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 122.869 0.468 . . . . 0.0 110.925 175.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.59 98.52 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.18 0.592 . . . . 0.0 111.131 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -57.69 -47.78 81.39 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.136 0.574 . . . . 0.0 110.576 172.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -59.1 -43.58 91.9 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.646 0.778 . . . . 0.0 111.171 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 . . . . . 0 CA--C 1.53 0.179 0 C-N-CA 123.692 0.797 . . . . 0.0 110.791 -179.918 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.1 tp . . . . . 0 CA--C 1.529 0.155 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -50.74 -52.4 40.9 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.387 1.075 . . . . 0.0 110.954 177.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -59.05 -40.57 85.53 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.194 0.998 . . . . 0.0 111.89 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.4 tp -70.47 -38.48 74.43 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.48 1.112 . . . . 0.0 110.662 -175.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.19 -42.23 76.1 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.737 0.815 . . . . 0.0 111.108 176.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.59 -47.53 81.88 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.03 0.377 . . . . 0.0 110.458 171.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -55.11 -49.22 72.27 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.593 1.157 . . . . 0.0 110.592 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 . . . . . 0 CA--C 1.531 0.213 0 C-N-CA 123.252 0.621 . . . . 0.0 111.555 178.608 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.8 tp . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -55.33 -44.5 75.92 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.247 0.619 . . . . 0.0 110.653 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -61.53 -40.84 96.1 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.677 0.791 . . . . 0.0 111.757 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.2 mt -63.79 -44.08 94.41 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 122.745 0.418 . . . . 0.0 110.794 175.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.49 -45.01 95.33 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.199 0.6 . . . . 0.0 111.268 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.11 -48.76 80.43 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.449 0.7 . . . . 0.0 110.796 173.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -57.53 -45.23 85.29 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.255 1.022 . . . . 0.0 111.343 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 . . . . . 0 CA--C 1.528 0.127 0 C-N-CA 123.787 0.835 . . . . 0.0 109.925 177.691 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 tp . . . . . 0 CA--C 1.529 0.152 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -52.43 -44.27 65.36 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 123.438 0.695 . . . . 0.0 111.862 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.2 p-90 -58.05 -43.74 87.03 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.239 0.472 . . . . 0.0 111.759 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.69 -50.08 70.61 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 123.007 0.523 . . . . 0.0 110.82 175.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.82 -44.81 90.94 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.258 0.623 . . . . 0.0 111.699 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -56.13 -51.83 66.53 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.359 1.063 . . . . 0.0 110.265 172.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -57.93 -43.74 86.49 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.63 0.772 . . . . 0.0 111.444 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 . . . . . 0 CA--C 1.53 0.206 0 C-N-CA 123.924 0.89 . . . . 0.0 110.512 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.6 tp . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -51.09 -49.63 60.3 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 123.834 0.854 . . . . 0.0 110.685 175.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 -58.35 -42.96 88.05 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.692 0.797 . . . . 0.0 112.112 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.03 -48.68 79.21 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 122.643 0.377 . . . . 0.0 110.782 176.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.31 -45.81 92.07 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.356 0.662 . . . . 0.0 111.573 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -57.09 -46.45 82.54 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.029 0.932 . . . . 0.0 110.744 173.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -63.51 -41.59 98.51 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.96 0.904 . . . . 0.0 111.408 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 . . . . . 0 CA--C 1.531 0.217 0 C-N-CA 123.72 0.808 . . . . 0.0 110.398 178.394 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.456 -0.159 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -53.41 -47.23 69.76 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.095 0.958 . . . . 0.0 111.417 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 34.5 p-90 -61.45 -41.73 97.66 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.22 0.608 . . . . 0.0 111.658 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.0 mt -63.48 -42.11 98.58 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.184 0.594 . . . . 0.0 110.994 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.95 79.71 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.756 0.422 . . . . 0.0 110.658 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -57.76 -44.42 86.14 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.172 0.589 . . . . 0.0 111.222 174.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -57.82 -43.32 85.68 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.702 0.801 . . . . 0.0 111.051 178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 . . . . . 0 CA--C 1.529 0.173 0 C-N-CA 123.524 0.73 . . . . 0.0 110.862 179.375 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 C--O 1.227 -0.116 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -53.18 -40.57 64.47 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.207 0.603 . . . . 0.0 111.852 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 38.4 p-90 -62.34 -42.89 99.75 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.869 0.468 . . . . 0.0 111.728 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.01 -45.23 89.9 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.122 0.569 . . . . 0.0 110.869 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.66 -45.89 90.68 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.157 0.583 . . . . 0.0 111.014 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.22 -45.42 94.63 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.501 0.72 . . . . 0.0 111.095 174.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -58.13 -41.25 83.27 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.975 0.91 . . . . 0.0 111.239 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 . . . . . 0 CA--C 1.53 0.209 0 C-N-CA 123.598 0.759 . . . . 0.0 110.216 176.925 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.0 tp . . . . . 0 N--CA 1.456 -0.134 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -56.84 -38.74 73.09 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.352 0.661 . . . . 0.0 111.117 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 49.2 p-90 -60.21 -43.68 95.79 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.943 0.497 . . . . 0.0 111.756 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.5 mt -63.83 -46.77 83.56 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 122.912 0.485 . . . . 0.0 110.781 175.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.91 75.64 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 122.61 0.364 . . . . 0.0 110.867 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -58.23 -47.29 84.01 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.848 1.259 . . . . 0.0 111.352 175.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -54.49 -46.1 73.37 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.619 0.768 . . . . 0.0 110.792 177.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 . . . . . 0 CA--C 1.532 0.282 0 C-N-CA 123.547 0.739 . . . . 0.0 111.543 -176.367 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 tt . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -54.49 -38.0 65.95 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.35 0.66 . . . . 0.0 112.01 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 47.4 p-90 -56.95 -45.17 83.01 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.365 0.53 . . . . 0.0 111.632 174.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.5 mt -65.55 -48.05 73.74 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 122.925 0.49 . . . . 0.0 111.346 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.95 81.67 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 122.774 0.43 . . . . 0.0 111.894 -176.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.64 -51.29 65.83 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 124.049 0.94 . . . . 0.0 110.17 171.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -54.79 -43.8 73.17 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.116 0.966 . . . . 0.0 111.069 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.0 m-30 . . . . . 0 N--CA 1.454 -0.258 0 C-N-CA 124.26 1.024 . . . . 0.0 109.664 177.535 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.3 tp . . . . . 0 N--CA 1.457 -0.122 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.19 -46.88 62.29 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.787 0.835 . . . . 0.0 110.403 177.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 29.4 p-90 -65.42 -36.47 84.02 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.853 0.861 . . . . 0.0 112.763 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.08 -48.43 80.23 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 118.563 0.62 . . . . 0.0 109.732 172.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.34 98.34 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.537 0.735 . . . . 0.0 111.672 -178.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.24 -45.84 90.09 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.107 0.563 . . . . 0.0 110.542 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.21 -42.49 95.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.935 0.494 . . . . 0.0 111.045 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.1 m-30 . . . . . 0 CA--C 1.531 0.245 0 C-N-CA 123.463 0.705 . . . . 0.0 110.579 176.502 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.455 -0.175 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -46.36 -46.03 18.1 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.709 1.204 . . . . 0.0 112.068 176.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -61.17 -41.38 96.68 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.969 0.908 . . . . 0.0 112.01 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.6 mt -64.16 -43.97 93.54 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.068 0.395 . . . . 0.0 110.714 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.88 89.79 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.128 0.422 . . . . 0.0 111.429 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.11 -51.08 71.21 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.403 0.681 . . . . 0.0 110.577 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -56.08 -44.76 79.29 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.609 1.164 . . . . 0.0 111.658 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 . . . . . 0 C--N 1.34 0.155 0 C-N-CA 123.538 0.735 . . . . 0.0 110.026 177.862 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.3 tp . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -53.93 -45.49 71.26 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-O 118.485 -0.769 . . . . 0.0 112.348 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 27.0 p-90 -65.08 -35.08 80.02 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.299 0.954 . . . . 0.0 111.873 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.36 -53.02 61.07 Favored 'General case' 0 C--N 1.343 0.289 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 171.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.42 -39.97 89.33 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 122.929 0.492 . . . . 0.0 112.016 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -61.11 -47.68 85.16 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.288 1.035 . . . . 0.0 110.227 174.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.46 -42.93 93.15 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.569 0.748 . . . . 0.0 111.123 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 . . . . . 0 CA--C 1.53 0.202 0 C-N-CA 124.287 1.035 . . . . 0.0 110.561 -179.29 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 C--O 1.226 -0.169 0 CA-C-O 119.07 -0.491 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -54.58 -42.31 70.89 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.924 0.783 . . . . 0.0 112.056 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 26.9 p-90 -57.02 -41.09 77.92 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.317 0.508 . . . . 0.0 111.638 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.28 -47.56 64.21 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.957 0.903 . . . . 0.0 111.636 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.72 97.19 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.438 0.563 . . . . 0.0 111.225 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -59.42 -42.79 92.64 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.906 0.882 . . . . 0.0 110.564 172.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -57.83 -47.74 81.79 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.088 0.555 . . . . 0.0 110.177 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 . . . . . 0 CA--C 1.533 0.321 0 C-N-CA 124.324 1.05 . . . . 0.0 110.891 -179.872 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.46 0.054 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -53.2 -40.65 64.59 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.679 1.192 . . . . 0.0 111.484 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -59.44 -41.66 90.14 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.849 0.86 . . . . 0.0 112.246 176.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.1 mt -66.85 -51.22 58.14 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 123.163 0.585 . . . . 0.0 109.963 178.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.18 -41.0 64.81 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.277 0.631 . . . . 0.0 111.675 177.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.74 -47.38 69.46 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.884 0.873 . . . . 0.0 112.342 175.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -30.32 70.43 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.947 0.794 . . . . 0.0 112.071 -174.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 . . . . . 0 CA--C 1.532 0.267 0 C-N-CA 123.411 0.684 . . . . 0.0 111.038 178.824 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 tp . . . . . 0 N--CA 1.457 -0.101 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -51.01 -49.84 59.68 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.235 1.014 . . . . 0.0 110.584 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.3 p-90 -73.31 -27.15 61.37 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.85 -47.37 72.15 Favored 'General case' 0 C--N 1.342 0.239 0 CA-C-N 118.799 0.727 . . . . 0.0 109.717 173.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.95 -42.22 84.46 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.544 0.738 . . . . 0.0 111.057 178.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -59.56 -52.64 64.67 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.09 0.556 . . . . 0.0 110.599 172.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -52.58 -49.66 64.55 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.683 1.193 . . . . 0.0 111.501 -177.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 . . . . . 0 CA--C 1.53 0.207 0 C-N-CA 124.045 0.938 . . . . 0.0 111.358 -175.441 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.058 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -76.99 85.56 3.51 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.474 0.709 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.63 61.19 5.61 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.014 0.925 . . . . 0.0 110.126 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.12 75.66 0.04 OUTLIER Glycine 0 CA--C 1.529 0.942 0 N-CA-C 110.214 -1.155 . . . . 0.0 110.214 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -75.08 76.03 3.55 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 123.929 3.086 . . . . 0.0 110.489 -176.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -156.76 -47.62 0.07 Allowed 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.928 1.291 . . . . 0.0 108.964 -172.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -55.48 -47.2 76.52 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.346 0.658 . . . . 0.0 111.301 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 47.4 p-90 -62.03 -38.36 88.4 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.916 0.486 . . . . 0.0 111.836 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.2 mt -64.67 -42.35 95.43 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 122.642 0.377 . . . . 0.0 110.828 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.07 -45.55 92.52 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.363 0.529 . . . . 0.0 111.154 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -58.69 -47.95 82.78 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.234 0.614 . . . . 0.0 110.761 173.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -58.25 -45.01 88.57 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.254 1.021 . . . . 0.0 111.263 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -60.97 -48.81 80.09 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.818 0.847 . . . . 0.0 109.958 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -79.52 61.18 3.47 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.422 0.689 . . . . 0.0 109.856 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.24 -60.44 0.06 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -177.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.049 0 O-C-N 122.378 -0.483 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.045 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -64.39 141.67 58.69 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.702 0.801 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.33 74.79 1.87 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.075 0.95 . . . . 0.0 110.839 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.22 -80.85 0.09 OUTLIER Glycine 0 CA--C 1.528 0.884 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -78.53 67.86 8.22 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 124.059 3.173 . . . . 0.0 109.953 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -160.07 -46.69 0.05 OUTLIER 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 125.041 1.336 . . . . 0.0 108.685 -171.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -52.63 -50.08 63.87 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.373 1.069 . . . . 0.0 111.195 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -64.45 -38.73 92.05 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.018 0.527 . . . . 0.0 111.755 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.3 mt -63.25 -42.66 99.21 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 122.853 0.461 . . . . 0.0 110.906 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.49 98.68 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.139 0.576 . . . . 0.0 111.178 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -57.12 -49.73 75.01 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 122.915 0.486 . . . . 0.0 110.564 172.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -58.18 -44.17 87.86 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.238 1.015 . . . . 0.0 111.372 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -62.68 -50.28 71.8 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.606 0.763 . . . . 0.0 110.748 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -61.31 -57.95 10.26 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.599 0.36 . . . . 0.0 110.172 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.03 59.91 4.9 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 176.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.019 0 O-C-N 122.388 -0.478 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 68.6 ttt-85 -79.98 69.06 6.28 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.022 0.929 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.29 63.04 7.52 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.22 1.008 . . . . 0.0 110.986 -174.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.72 83.21 0.09 OUTLIER Glycine 0 CA--C 1.533 1.157 0 CA-C-O 118.657 -1.079 . . . . 0.0 111.905 176.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -65.88 73.82 0.33 Allowed 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 124.858 3.705 . . . . 0.0 112.939 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.4 tp -160.15 -41.55 0.05 OUTLIER 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 125.108 1.363 . . . . 0.0 109.684 -174.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -50.81 -49.69 58.01 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 123.897 0.879 . . . . 0.0 110.972 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.4 p-90 -57.03 -42.76 81.04 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.863 0.865 . . . . 0.0 112.197 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.43 -47.98 77.05 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 122.766 0.426 . . . . 0.0 110.958 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.13 -44.85 92.06 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.03 0.532 . . . . 0.0 111.444 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -57.69 -48.97 78.03 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.02 0.928 . . . . 0.0 110.585 173.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -58.26 -44.21 88.27 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.012 0.925 . . . . 0.0 111.317 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -60.69 -46.81 88.94 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.779 0.832 . . . . 0.0 110.628 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -61.47 -55.83 26.88 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.618 0.367 . . . . 0.0 110.26 175.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.44 58.88 4.97 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.047 0 CA-C-N 117.142 0.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 -69.58 121.26 16.74 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.297 0.639 . . . . 0.0 109.583 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.51 61.01 4.09 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.913 0.885 . . . . 0.0 110.219 177.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.67 72.47 0.01 OUTLIER Glycine 0 CA--C 1.528 0.905 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -79.86 56.27 5.99 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 124.303 3.336 . . . . 0.0 110.67 -177.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.2 tp -160.38 -41.02 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 126.002 1.721 . . . . 0.0 108.955 -177.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -58.31 -32.15 68.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.295 0.638 . . . . 0.0 112.398 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.3 p-90 -60.15 -43.39 95.8 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.523 0.602 . . . . 0.0 111.232 173.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.22 -45.29 85.3 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 122.883 0.473 . . . . 0.0 110.719 174.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.94 84.3 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.84 0.456 . . . . 0.0 111.465 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -58.75 -53.06 62.62 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.264 1.026 . . . . 0.0 110.363 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -53.84 -46.64 71.28 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.609 1.163 . . . . 0.0 111.879 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -58.16 -47.21 84.07 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.96 0.904 . . . . 0.0 110.891 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -65.06 -40.55 94.88 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.877 0.471 . . . . 0.0 111.038 177.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.35 -55.49 0.04 OUTLIER Glycine 0 CA--C 1.527 0.827 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.05 0 O-C-N 122.237 -0.567 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.064 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -73.31 98.62 2.72 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.16 73.22 2.29 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.672 1.189 . . . . 0.0 110.769 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.61 -82.21 0.09 OUTLIER Glycine 0 C--N 1.338 0.688 0 N-CA-C 108.107 -1.997 . . . . 0.0 108.107 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -80.18 47.97 2.71 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 124.184 3.256 . . . . 0.0 109.775 172.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -160.55 -45.07 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.773 1.629 . . . . 0.0 108.321 -170.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -49.65 -46.27 49.45 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.799 1.24 . . . . 0.0 111.535 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 29.4 p-90 -59.48 -42.46 92.13 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.496 0.718 . . . . 0.0 111.838 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.4 mt -66.24 -41.36 90.12 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 123.319 0.648 . . . . 0.0 111.199 176.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.93 -48.53 81.15 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.239 0.472 . . . . 0.0 110.654 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -58.28 -43.46 87.99 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.654 0.782 . . . . 0.0 111.084 174.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -58.3 -44.46 88.57 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.345 0.658 . . . . 0.0 110.836 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -63.26 -45.91 89.33 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.62 0.768 . . . . 0.0 110.794 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -56.75 -45.54 81.94 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 122.866 0.466 . . . . 0.0 110.766 175.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.96 -51.85 56.78 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 123.964 0.792 . . . . 0.0 111.583 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.077 0 CA-C-N 117.234 0.517 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.011 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.6 tpt85 -66.5 121.29 15.01 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.803 0.841 . . . . 0.0 109.559 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.24 68.39 5.21 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.996 0.918 . . . . 0.0 110.851 -175.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.6 175.39 44.78 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.201 -1.16 . . . . 0.0 110.201 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -77.73 66.28 8.1 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 124.432 3.421 . . . . 0.0 109.831 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 tp -151.37 -31.16 0.17 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.341 1.456 . . . . 0.0 110.343 -174.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -53.97 -47.73 71.06 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.463 0.705 . . . . 0.0 110.973 174.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -61.03 -42.43 98.45 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.487 0.715 . . . . 0.0 111.79 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 40.5 mt -62.69 -43.37 98.98 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 122.869 0.468 . . . . 0.0 110.925 175.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.59 98.52 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.18 0.592 . . . . 0.0 111.131 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -57.69 -47.78 81.39 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.136 0.574 . . . . 0.0 110.576 172.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -59.1 -43.58 91.9 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.646 0.778 . . . . 0.0 111.171 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 -62.77 -46.46 87.94 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.692 0.797 . . . . 0.0 110.791 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -57.72 -55.65 32.18 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 122.779 0.431 . . . . 0.0 110.077 174.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.86 57.22 5.06 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.061 0 CA-C-N 117.206 0.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.017 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 57.8 ttt85 74.71 130.99 0.04 OUTLIER 'General case' 0 C--N 1.341 0.226 0 C-N-CA 126.512 1.925 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.11 70.33 3.49 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.704 0.802 . . . . 0.0 108.986 171.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.05 -175.15 41.46 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -175.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -77.41 72.15 6.1 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 124.096 3.198 . . . . 0.0 110.397 -175.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.1 tp -156.77 -39.6 0.07 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.83 1.252 . . . . 0.0 110.114 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -50.74 -52.4 40.9 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.387 1.075 . . . . 0.0 110.954 177.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -59.05 -40.57 85.53 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.194 0.998 . . . . 0.0 111.89 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.4 tp -70.47 -38.48 74.43 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.48 1.112 . . . . 0.0 110.662 -175.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.19 -42.23 76.1 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.737 0.815 . . . . 0.0 111.108 176.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.59 -47.53 81.88 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.03 0.377 . . . . 0.0 110.458 171.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -55.11 -49.22 72.27 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.593 1.157 . . . . 0.0 110.592 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -56.87 -51.32 69.53 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.252 0.621 . . . . 0.0 111.555 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -62.01 -50.3 72.62 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.559 0.344 . . . . 0.0 111.228 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -179.78 65.74 0.07 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.366 -1.093 . . . . 0.0 110.366 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.084 0 O-C-N 122.43 -0.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.05 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -75.86 88.36 2.87 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.474 0.709 . . . . 0.0 109.434 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.46 56.4 3.28 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.057 0.943 . . . . 0.0 110.843 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.61 62.05 3.44 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.693 1.616 . . . . 0.0 114.222 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -79.19 59.61 7.46 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 124.137 3.224 . . . . 0.0 109.507 176.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.8 tp -160.22 -39.73 0.05 Allowed 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.093 1.357 . . . . 0.0 109.658 -171.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -55.33 -44.5 75.92 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.247 0.619 . . . . 0.0 110.653 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -61.53 -40.84 96.1 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.677 0.791 . . . . 0.0 111.757 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.2 mt -63.79 -44.08 94.41 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 122.745 0.418 . . . . 0.0 110.794 175.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.49 -45.01 95.33 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.199 0.6 . . . . 0.0 111.268 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.11 -48.76 80.43 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.449 0.7 . . . . 0.0 110.796 173.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -57.53 -45.23 85.29 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.255 1.022 . . . . 0.0 111.343 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -60.52 -48.86 79.91 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.787 0.835 . . . . 0.0 109.925 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -81.25 56.88 3.0 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.3 0.64 . . . . 0.0 109.883 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.69 66.67 3.68 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.082 0.849 . . . . 0.0 110.986 -176.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.079 0 O-C-N 122.414 -0.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.027 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -73.79 101.47 3.73 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.96 78.53 3.51 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.132 0.973 . . . . 0.0 110.478 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.76 -65.94 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.076 -1.209 . . . . 0.0 110.076 175.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -66.27 74.45 0.37 Allowed 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 124.491 3.461 . . . . 0.0 112.054 175.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 tp -139.21 -38.85 0.49 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 125.451 1.5 . . . . 0.0 110.05 -174.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -52.43 -44.27 65.36 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 123.438 0.695 . . . . 0.0 111.862 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.2 p-90 -58.05 -43.74 87.03 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.239 0.472 . . . . 0.0 111.759 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.69 -50.08 70.61 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 123.007 0.523 . . . . 0.0 110.82 175.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.82 -44.81 90.94 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.258 0.623 . . . . 0.0 111.699 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -56.13 -51.83 66.53 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.359 1.063 . . . . 0.0 110.265 172.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -57.93 -43.74 86.49 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.63 0.772 . . . . 0.0 111.444 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -60.25 -46.11 90.94 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.924 0.89 . . . . 0.0 110.512 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -61.95 -42.55 99.24 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.672 0.389 . . . . 0.0 110.884 174.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.83 -58.37 0.05 OUTLIER Glycine 0 CA--C 1.527 0.837 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.1 0 O-C-N 122.246 -0.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.5 ttm105 -79.31 73.45 5.93 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.793 0.837 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.84 70.49 6.39 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.23 1.012 . . . . 0.0 110.128 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.76 -173.49 31.31 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.006 0.812 . . . . 0.0 111.43 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -76.83 65.72 7.61 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 124.323 3.349 . . . . 0.0 109.91 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.6 tp -160.33 -38.46 0.05 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.855 1.662 . . . . 0.0 109.435 -172.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -51.09 -49.63 60.3 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 123.834 0.854 . . . . 0.0 110.685 175.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 -58.35 -42.96 88.05 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.692 0.797 . . . . 0.0 112.112 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.03 -48.68 79.21 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 122.643 0.377 . . . . 0.0 110.782 176.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.31 -45.81 92.07 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.356 0.662 . . . . 0.0 111.573 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -57.09 -46.45 82.54 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.029 0.932 . . . . 0.0 110.744 173.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -63.51 -41.59 98.51 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.96 0.904 . . . . 0.0 111.408 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -59.99 -48.31 82.22 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.72 0.808 . . . . 0.0 110.398 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -62.39 -38.02 88.0 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.864 0.466 . . . . 0.0 111.096 174.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.22 50.43 3.23 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 109.969 -1.253 . . . . 0.0 109.969 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.011 0 O-C-N 122.385 -0.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.016 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 49.2 ttp85 56.54 62.53 2.27 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.932 1.293 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.02 71.78 4.51 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.16 0.984 . . . . 0.0 110.407 -177.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.51 74.19 0.19 Allowed Glycine 0 CA--C 1.527 0.839 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -75.22 73.69 4.36 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 124.01 3.14 . . . . 0.0 110.42 -175.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -159.84 -48.35 0.05 Allowed 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 125.381 1.472 . . . . 0.0 108.768 -172.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -53.41 -47.23 69.76 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.095 0.958 . . . . 0.0 111.417 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 34.5 p-90 -61.45 -41.73 97.66 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.22 0.608 . . . . 0.0 111.658 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.0 mt -63.48 -42.11 98.58 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.184 0.594 . . . . 0.0 110.994 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.95 79.71 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.756 0.422 . . . . 0.0 110.658 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -57.76 -44.42 86.14 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.172 0.589 . . . . 0.0 111.222 174.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -57.82 -43.32 85.68 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.702 0.801 . . . . 0.0 111.051 178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -65.13 -45.85 83.37 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.524 0.73 . . . . 0.0 110.862 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -55.27 -43.92 75.16 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 123.005 0.522 . . . . 0.0 110.598 174.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.54 -53.65 44.24 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 123.957 0.789 . . . . 0.0 111.389 176.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.07 0 O-C-N 122.262 -0.552 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -69.88 106.79 3.29 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.534 0.734 . . . . 0.0 109.611 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.96 55.74 3.2 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.871 0.868 . . . . 0.0 110.698 178.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.09 69.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.991 0.805 . . . . 0.0 111.261 176.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -81.87 57.56 6.35 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 123.799 3.0 . . . . 0.0 109.736 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tt -128.86 -49.9 1.23 Allowed 'General case' 0 C--N 1.339 0.12 0 C-N-CA 124.787 1.235 . . . . 0.0 109.365 -171.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -53.18 -40.57 64.47 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.207 0.603 . . . . 0.0 111.852 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 38.4 p-90 -62.34 -42.89 99.75 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.869 0.468 . . . . 0.0 111.728 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.01 -45.23 89.9 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.122 0.569 . . . . 0.0 110.869 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.66 -45.89 90.68 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.157 0.583 . . . . 0.0 111.014 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.22 -45.42 94.63 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.501 0.72 . . . . 0.0 111.095 174.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -58.13 -41.25 83.27 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.975 0.91 . . . . 0.0 111.239 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -65.12 -40.77 94.95 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.598 0.759 . . . . 0.0 110.216 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -77.32 55.33 1.21 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.96 0.904 . . . . 0.0 110.693 173.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.71 54.05 37.52 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.236 0.922 . . . . 0.0 112.412 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.106 0 O-C-N 122.293 -0.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.056 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -69.09 148.06 50.54 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.327 0.651 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.44 71.22 1.29 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.241 1.016 . . . . 0.0 108.8 170.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.88 75.11 0.13 Allowed Glycine 0 CA--C 1.528 0.852 0 N-CA-C 107.501 -2.24 . . . . 0.0 107.501 -169.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -80.79 63.38 8.77 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.963 3.109 . . . . 0.0 110.738 -170.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.0 tp -160.23 -41.7 0.05 OUTLIER 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 125.123 1.369 . . . . 0.0 109.664 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -56.84 -38.74 73.09 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.352 0.661 . . . . 0.0 111.117 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 49.2 p-90 -60.21 -43.68 95.79 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.943 0.497 . . . . 0.0 111.756 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.5 mt -63.83 -46.77 83.56 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 122.912 0.485 . . . . 0.0 110.781 175.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.91 75.64 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 122.61 0.364 . . . . 0.0 110.867 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -58.23 -47.29 84.01 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.848 1.259 . . . . 0.0 111.352 175.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -54.49 -46.1 73.37 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.619 0.768 . . . . 0.0 110.792 177.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -61.25 -42.78 99.22 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.547 0.739 . . . . 0.0 111.543 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -79.82 53.63 1.69 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.423 0.556 . . . . 0.0 110.992 175.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.12 -59.77 0.05 OUTLIER Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.069 -1.213 . . . . 0.0 110.069 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.046 0 O-C-N 122.42 -0.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.018 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -68.0 120.44 14.25 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.46 0.704 . . . . 0.0 109.474 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.94 70.8 3.4 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.071 0.948 . . . . 0.0 110.509 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.95 -76.21 0.02 OUTLIER Glycine 0 CA--C 1.526 0.766 0 N-CA-C 108.021 -2.032 . . . . 0.0 108.021 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -77.96 55.6 5.36 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 124.158 3.239 . . . . 0.0 109.392 170.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 tt -160.58 -45.21 0.05 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.901 1.68 . . . . 0.0 108.699 -171.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -54.49 -38.0 65.95 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.35 0.66 . . . . 0.0 112.01 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 47.4 p-90 -56.95 -45.17 83.01 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.365 0.53 . . . . 0.0 111.632 174.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.5 mt -65.55 -48.05 73.74 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 122.925 0.49 . . . . 0.0 111.346 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.95 81.67 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 122.774 0.43 . . . . 0.0 111.894 -176.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.64 -51.29 65.83 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 124.049 0.94 . . . . 0.0 110.17 171.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -54.79 -43.8 73.17 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.116 0.966 . . . . 0.0 111.069 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.0 m-30 -64.2 -49.12 73.26 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.26 1.024 . . . . 0.0 109.664 177.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -80.31 68.64 6.54 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.974 0.91 . . . . 0.0 109.59 177.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.61 -56.15 3.07 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.145 0.879 . . . . 0.0 111.272 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.08 0 O-C-N 122.125 -0.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.013 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -156.41 152.84 28.01 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.215 1.006 . . . . 0.0 108.653 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.29 123.94 19.18 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.734 0.814 . . . . 0.0 110.444 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.82 -55.12 26.54 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-O 118.737 -1.035 . . . . 0.0 111.125 176.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -64.28 74.47 0.19 Allowed 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 125.009 3.806 . . . . 0.0 112.173 175.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.3 tp -160.11 -40.71 0.05 Allowed 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 125.328 1.451 . . . . 0.0 109.504 -173.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.19 -46.88 62.29 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.787 0.835 . . . . 0.0 110.403 177.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 29.4 p-90 -65.42 -36.47 84.02 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.853 0.861 . . . . 0.0 112.763 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.08 -48.43 80.23 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 118.563 0.62 . . . . 0.0 109.732 172.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.34 98.34 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.537 0.735 . . . . 0.0 111.672 -178.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.24 -45.84 90.09 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.107 0.563 . . . . 0.0 110.542 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.21 -42.49 95.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.935 0.494 . . . . 0.0 111.045 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.1 m-30 -59.26 -38.98 81.43 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.463 0.705 . . . . 0.0 110.579 176.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -77.4 59.75 1.91 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.676 0.79 . . . . 0.0 109.462 170.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.24 -165.55 37.83 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -174.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.062 0 O-C-N 122.316 -0.52 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? 57.33 91.2 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.124 1.77 . . . . 0.0 111.644 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.28 75.13 2.4 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.851 0.86 . . . . 0.0 109.312 172.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.84 -67.54 2.15 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 125.218 1.389 . . . . 0.0 112.762 -174.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -80.49 54.26 5.14 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 124.066 3.178 . . . . 0.0 110.658 -176.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -160.56 -42.4 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 126.356 1.862 . . . . 0.0 108.071 -175.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -46.36 -46.03 18.1 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.709 1.204 . . . . 0.0 112.068 176.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -61.17 -41.38 96.68 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.969 0.908 . . . . 0.0 112.01 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.6 mt -64.16 -43.97 93.54 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.068 0.395 . . . . 0.0 110.714 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.88 89.79 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.128 0.422 . . . . 0.0 111.429 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.11 -51.08 71.21 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.403 0.681 . . . . 0.0 110.577 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -56.08 -44.76 79.29 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.609 1.164 . . . . 0.0 111.658 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -60.28 -47.3 86.61 Favored 'General case' 0 C--N 1.34 0.155 0 C-N-CA 123.538 0.735 . . . . 0.0 110.026 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -79.75 65.17 4.83 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.248 0.619 . . . . 0.0 109.733 174.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.34 -58.14 5.01 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 123.981 0.801 . . . . 0.0 111.472 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.099 0 O-C-N 122.272 -0.546 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.025 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -71.18 98.08 1.64 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.68 0.792 . . . . 0.0 109.753 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.5 67.45 6.36 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.764 0.826 . . . . 0.0 109.748 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.39 -113.27 5.01 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.621 1.105 . . . . 0.0 110.735 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -80.21 53.24 4.66 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 123.782 2.988 . . . . 0.0 110.904 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.3 tp -89.7 -27.66 19.94 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.754 1.222 . . . . 0.0 109.817 172.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -53.93 -45.49 71.26 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-O 118.485 -0.769 . . . . 0.0 112.348 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 27.0 p-90 -65.08 -35.08 80.02 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.299 0.954 . . . . 0.0 111.873 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.36 -53.02 61.07 Favored 'General case' 0 C--N 1.343 0.289 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 171.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.42 -39.97 89.33 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 122.929 0.492 . . . . 0.0 112.016 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -61.11 -47.68 85.16 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.288 1.035 . . . . 0.0 110.227 174.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.46 -42.93 93.15 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.569 0.748 . . . . 0.0 111.123 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -64.66 -47.26 79.13 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.287 1.035 . . . . 0.0 110.561 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -56.61 -46.67 80.77 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.433 0.693 . . . . 0.0 110.328 173.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.67 -64.56 4.18 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.061 0 O-C-N 122.481 -0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.043 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -68.83 78.0 0.31 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.681 1.192 . . . . 0.0 110.686 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.77 59.65 4.33 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.686 1.195 . . . . 0.0 108.883 172.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.09 70.9 0.04 OUTLIER Glycine 0 CA--C 1.529 0.946 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 -172.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -75.32 75.89 3.7 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 124.029 3.152 . . . . 0.0 108.468 177.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -129.76 -42.51 1.27 Allowed 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 125.264 1.425 . . . . 0.0 110.835 -169.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -54.58 -42.31 70.89 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.924 0.783 . . . . 0.0 112.056 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 26.9 p-90 -57.02 -41.09 77.92 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.317 0.508 . . . . 0.0 111.638 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.28 -47.56 64.21 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.957 0.903 . . . . 0.0 111.636 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.72 97.19 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.438 0.563 . . . . 0.0 111.225 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -59.42 -42.79 92.64 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.906 0.882 . . . . 0.0 110.564 172.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -57.83 -47.74 81.79 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.088 0.555 . . . . 0.0 110.177 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -55.64 -46.85 77.37 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.324 1.05 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -61.04 -48.33 82.27 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.508 0.723 . . . . 0.0 110.439 174.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 174.65 -69.88 0.09 OUTLIER Glycine 0 CA--C 1.527 0.843 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.031 0 O-C-N 122.261 -0.552 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.037 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -66.21 139.43 58.1 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.44 0.696 . . . . 0.0 109.778 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.99 73.19 2.17 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.672 0.789 . . . . 0.0 109.115 173.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -36.93 -72.01 0.17 Allowed Glycine 0 CA--C 1.529 0.913 0 C-N-CA 127.023 2.249 . . . . 0.0 114.82 -169.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -86.81 45.03 1.27 Allowed 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 124.051 3.167 . . . . 0.0 112.451 -169.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -160.46 -50.41 0.05 OUTLIER 'General case' 0 C--N 1.338 0.083 0 C-N-CA 123.718 0.807 . . . . 0.0 109.293 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -53.2 -40.65 64.59 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.679 1.192 . . . . 0.0 111.484 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -59.44 -41.66 90.14 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.849 0.86 . . . . 0.0 112.246 176.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.1 mt -66.85 -51.22 58.14 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 123.163 0.585 . . . . 0.0 109.963 178.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.18 -41.0 64.81 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.277 0.631 . . . . 0.0 111.675 177.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.74 -47.38 69.46 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.884 0.873 . . . . 0.0 112.342 175.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -30.32 70.43 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.947 0.794 . . . . 0.0 112.071 -174.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -60.2 -55.79 29.46 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.411 0.684 . . . . 0.0 111.038 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -69.56 -36.97 76.81 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.563 0.345 . . . . 0.0 111.462 -177.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.99 78.71 0.07 OUTLIER Glycine 0 C--N 1.34 0.763 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -178.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.111 0 O-C-N 122.501 -0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.043 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.0 ttt85 59.1 62.72 1.78 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.703 1.201 . . . . 0.0 110.146 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.04 148.87 51.37 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.416 0.686 . . . . 0.0 111.327 -175.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.64 62.88 5.64 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-O 119.063 -0.854 . . . . 0.0 111.583 -174.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -76.99 71.89 6.05 Favored 'Trans proline' 0 N--CA 1.454 -0.804 0 C-N-CA 123.733 2.955 . . . . 0.0 110.29 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 tp -148.25 -41.38 0.16 Allowed 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 125.613 1.565 . . . . 0.0 109.328 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -51.01 -49.84 59.68 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.235 1.014 . . . . 0.0 110.584 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.3 p-90 -73.31 -27.15 61.37 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.85 -47.37 72.15 Favored 'General case' 0 C--N 1.342 0.239 0 CA-C-N 118.799 0.727 . . . . 0.0 109.717 173.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.95 -42.22 84.46 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.544 0.738 . . . . 0.0 111.057 178.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -59.56 -52.64 64.67 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.09 0.556 . . . . 0.0 110.599 172.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -52.58 -49.66 64.55 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.683 1.193 . . . . 0.0 111.501 -177.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -58.59 -50.85 72.32 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.045 0.938 . . . . 0.0 111.358 -175.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -70.05 -36.46 75.01 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.397 0.679 . . . . 0.0 111.161 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.91 -66.41 3.77 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.083 0 O-C-N 122.44 -0.447 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -55.48 -47.2 76.52 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.346 0.658 . . . . 0.0 111.301 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 47.4 p-90 -62.03 -38.36 88.4 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.916 0.486 . . . . 0.0 111.836 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.2 mt -64.67 -42.35 95.43 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 122.642 0.377 . . . . 0.0 110.828 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.07 -45.55 92.52 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.363 0.529 . . . . 0.0 111.154 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -58.69 -47.95 82.78 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.234 0.614 . . . . 0.0 110.761 173.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -58.25 -45.01 88.57 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.254 1.021 . . . . 0.0 111.263 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 . . . . . 0 CA--C 1.529 0.161 0 C-N-CA 123.818 0.847 . . . . 0.0 109.958 177.606 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.457 -0.115 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -52.63 -50.08 63.87 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.373 1.069 . . . . 0.0 111.195 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -64.45 -38.73 92.05 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.018 0.527 . . . . 0.0 111.755 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.3 mt -63.25 -42.66 99.21 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 122.853 0.461 . . . . 0.0 110.906 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.49 98.68 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.139 0.576 . . . . 0.0 111.178 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -57.12 -49.73 75.01 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 122.915 0.486 . . . . 0.0 110.564 172.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -58.18 -44.17 87.86 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.238 1.015 . . . . 0.0 111.372 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 . . . . . 0 CA--C 1.529 0.143 0 C-N-CA 123.606 0.763 . . . . 0.0 110.748 -179.153 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.4 tp . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -50.81 -49.69 58.01 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 123.897 0.879 . . . . 0.0 110.972 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.4 p-90 -57.03 -42.76 81.04 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.863 0.865 . . . . 0.0 112.197 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.43 -47.98 77.05 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 122.766 0.426 . . . . 0.0 110.958 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.13 -44.85 92.06 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.03 0.532 . . . . 0.0 111.444 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -57.69 -48.97 78.03 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.02 0.928 . . . . 0.0 110.585 173.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -58.26 -44.21 88.27 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.012 0.925 . . . . 0.0 111.317 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 . . . . . 0 CA--C 1.531 0.232 0 C-N-CA 123.779 0.832 . . . . 0.0 110.628 -178.952 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.2 tp . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -58.31 -32.15 68.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.295 0.638 . . . . 0.0 112.398 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.3 p-90 -60.15 -43.39 95.8 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.523 0.602 . . . . 0.0 111.232 173.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.22 -45.29 85.3 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 122.883 0.473 . . . . 0.0 110.719 174.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.94 84.3 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.84 0.456 . . . . 0.0 111.465 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -58.75 -53.06 62.62 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.264 1.026 . . . . 0.0 110.363 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -53.84 -46.64 71.28 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.609 1.163 . . . . 0.0 111.879 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 . . . . . 0 CA--C 1.53 0.18 0 C-N-CA 123.96 0.904 . . . . 0.0 110.891 -179.355 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -49.65 -46.27 49.45 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.799 1.24 . . . . 0.0 111.535 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 29.4 p-90 -59.48 -42.46 92.13 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.496 0.718 . . . . 0.0 111.838 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.4 mt -66.24 -41.36 90.12 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 123.319 0.648 . . . . 0.0 111.199 176.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.93 -48.53 81.15 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.239 0.472 . . . . 0.0 110.654 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -58.28 -43.46 87.99 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.654 0.782 . . . . 0.0 111.084 174.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -58.3 -44.46 88.57 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.345 0.658 . . . . 0.0 110.836 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 . . . . . 0 CA--C 1.531 0.223 0 C-N-CA 123.62 0.768 . . . . 0.0 110.794 179.721 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 tp . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 119.43 -0.319 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -53.97 -47.73 71.06 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.463 0.705 . . . . 0.0 110.973 174.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -61.03 -42.43 98.45 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.487 0.715 . . . . 0.0 111.79 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 40.5 mt -62.69 -43.37 98.98 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 122.869 0.468 . . . . 0.0 110.925 175.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.59 98.52 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.18 0.592 . . . . 0.0 111.131 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -57.69 -47.78 81.39 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.136 0.574 . . . . 0.0 110.576 172.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -59.1 -43.58 91.9 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.646 0.778 . . . . 0.0 111.171 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 . . . . . 0 CA--C 1.53 0.179 0 C-N-CA 123.692 0.797 . . . . 0.0 110.791 -179.918 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.1 tp . . . . . 0 CA--C 1.529 0.155 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -50.74 -52.4 40.9 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.387 1.075 . . . . 0.0 110.954 177.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -59.05 -40.57 85.53 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.194 0.998 . . . . 0.0 111.89 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.4 tp -70.47 -38.48 74.43 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.48 1.112 . . . . 0.0 110.662 -175.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.19 -42.23 76.1 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.737 0.815 . . . . 0.0 111.108 176.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.59 -47.53 81.88 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.03 0.377 . . . . 0.0 110.458 171.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -55.11 -49.22 72.27 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.593 1.157 . . . . 0.0 110.592 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 . . . . . 0 CA--C 1.531 0.213 0 C-N-CA 123.252 0.621 . . . . 0.0 111.555 178.608 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.8 tp . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -55.33 -44.5 75.92 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.247 0.619 . . . . 0.0 110.653 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -61.53 -40.84 96.1 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.677 0.791 . . . . 0.0 111.757 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.2 mt -63.79 -44.08 94.41 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 122.745 0.418 . . . . 0.0 110.794 175.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.49 -45.01 95.33 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.199 0.6 . . . . 0.0 111.268 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.11 -48.76 80.43 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.449 0.7 . . . . 0.0 110.796 173.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -57.53 -45.23 85.29 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.255 1.022 . . . . 0.0 111.343 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 . . . . . 0 CA--C 1.528 0.127 0 C-N-CA 123.787 0.835 . . . . 0.0 109.925 177.691 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 tp . . . . . 0 CA--C 1.529 0.152 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -52.43 -44.27 65.36 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 123.438 0.695 . . . . 0.0 111.862 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.2 p-90 -58.05 -43.74 87.03 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.239 0.472 . . . . 0.0 111.759 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.69 -50.08 70.61 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 123.007 0.523 . . . . 0.0 110.82 175.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.82 -44.81 90.94 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.258 0.623 . . . . 0.0 111.699 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -56.13 -51.83 66.53 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.359 1.063 . . . . 0.0 110.265 172.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -57.93 -43.74 86.49 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.63 0.772 . . . . 0.0 111.444 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 . . . . . 0 CA--C 1.53 0.206 0 C-N-CA 123.924 0.89 . . . . 0.0 110.512 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.6 tp . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -51.09 -49.63 60.3 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 123.834 0.854 . . . . 0.0 110.685 175.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 -58.35 -42.96 88.05 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.692 0.797 . . . . 0.0 112.112 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.03 -48.68 79.21 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 122.643 0.377 . . . . 0.0 110.782 176.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.31 -45.81 92.07 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.356 0.662 . . . . 0.0 111.573 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -57.09 -46.45 82.54 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.029 0.932 . . . . 0.0 110.744 173.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -63.51 -41.59 98.51 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.96 0.904 . . . . 0.0 111.408 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 . . . . . 0 CA--C 1.531 0.217 0 C-N-CA 123.72 0.808 . . . . 0.0 110.398 178.394 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.456 -0.159 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -53.41 -47.23 69.76 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.095 0.958 . . . . 0.0 111.417 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 34.5 p-90 -61.45 -41.73 97.66 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.22 0.608 . . . . 0.0 111.658 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.0 mt -63.48 -42.11 98.58 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.184 0.594 . . . . 0.0 110.994 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.95 79.71 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.756 0.422 . . . . 0.0 110.658 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -57.76 -44.42 86.14 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.172 0.589 . . . . 0.0 111.222 174.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -57.82 -43.32 85.68 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.702 0.801 . . . . 0.0 111.051 178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 . . . . . 0 CA--C 1.529 0.173 0 C-N-CA 123.524 0.73 . . . . 0.0 110.862 179.375 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 C--O 1.227 -0.116 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -53.18 -40.57 64.47 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.207 0.603 . . . . 0.0 111.852 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 38.4 p-90 -62.34 -42.89 99.75 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.869 0.468 . . . . 0.0 111.728 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.01 -45.23 89.9 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.122 0.569 . . . . 0.0 110.869 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.66 -45.89 90.68 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.157 0.583 . . . . 0.0 111.014 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.22 -45.42 94.63 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.501 0.72 . . . . 0.0 111.095 174.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -58.13 -41.25 83.27 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.975 0.91 . . . . 0.0 111.239 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 . . . . . 0 CA--C 1.53 0.209 0 C-N-CA 123.598 0.759 . . . . 0.0 110.216 176.925 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.0 tp . . . . . 0 N--CA 1.456 -0.134 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -56.84 -38.74 73.09 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.352 0.661 . . . . 0.0 111.117 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 49.2 p-90 -60.21 -43.68 95.79 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.943 0.497 . . . . 0.0 111.756 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.5 mt -63.83 -46.77 83.56 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 122.912 0.485 . . . . 0.0 110.781 175.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.91 75.64 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 122.61 0.364 . . . . 0.0 110.867 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -58.23 -47.29 84.01 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.848 1.259 . . . . 0.0 111.352 175.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -54.49 -46.1 73.37 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.619 0.768 . . . . 0.0 110.792 177.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 . . . . . 0 CA--C 1.532 0.282 0 C-N-CA 123.547 0.739 . . . . 0.0 111.543 -176.367 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 tt . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -54.49 -38.0 65.95 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.35 0.66 . . . . 0.0 112.01 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 47.4 p-90 -56.95 -45.17 83.01 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.365 0.53 . . . . 0.0 111.632 174.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.5 mt -65.55 -48.05 73.74 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 122.925 0.49 . . . . 0.0 111.346 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.95 81.67 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 122.774 0.43 . . . . 0.0 111.894 -176.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.64 -51.29 65.83 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 124.049 0.94 . . . . 0.0 110.17 171.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -54.79 -43.8 73.17 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.116 0.966 . . . . 0.0 111.069 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.0 m-30 . . . . . 0 N--CA 1.454 -0.258 0 C-N-CA 124.26 1.024 . . . . 0.0 109.664 177.535 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.3 tp . . . . . 0 N--CA 1.457 -0.122 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.19 -46.88 62.29 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.787 0.835 . . . . 0.0 110.403 177.123 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 29.4 p-90 -65.42 -36.47 84.02 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.853 0.861 . . . . 0.0 112.763 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.08 -48.43 80.23 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 118.563 0.62 . . . . 0.0 109.732 172.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.34 98.34 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.537 0.735 . . . . 0.0 111.672 -178.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.24 -45.84 90.09 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.107 0.563 . . . . 0.0 110.542 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.21 -42.49 95.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.935 0.494 . . . . 0.0 111.045 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.1 m-30 . . . . . 0 CA--C 1.531 0.245 0 C-N-CA 123.463 0.705 . . . . 0.0 110.579 176.502 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.455 -0.175 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -46.36 -46.03 18.1 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.709 1.204 . . . . 0.0 112.068 176.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -61.17 -41.38 96.68 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.969 0.908 . . . . 0.0 112.01 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.6 mt -64.16 -43.97 93.54 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.068 0.395 . . . . 0.0 110.714 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.88 89.79 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.128 0.422 . . . . 0.0 111.429 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.11 -51.08 71.21 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.403 0.681 . . . . 0.0 110.577 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -56.08 -44.76 79.29 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.609 1.164 . . . . 0.0 111.658 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 . . . . . 0 C--N 1.34 0.155 0 C-N-CA 123.538 0.735 . . . . 0.0 110.026 177.862 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.3 tp . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -53.93 -45.49 71.26 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-O 118.485 -0.769 . . . . 0.0 112.348 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 27.0 p-90 -65.08 -35.08 80.02 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.299 0.954 . . . . 0.0 111.873 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.36 -53.02 61.07 Favored 'General case' 0 C--N 1.343 0.289 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 171.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.42 -39.97 89.33 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 122.929 0.492 . . . . 0.0 112.016 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -61.11 -47.68 85.16 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.288 1.035 . . . . 0.0 110.227 174.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.46 -42.93 93.15 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.569 0.748 . . . . 0.0 111.123 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 . . . . . 0 CA--C 1.53 0.202 0 C-N-CA 124.287 1.035 . . . . 0.0 110.561 -179.29 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 C--O 1.226 -0.169 0 CA-C-O 119.07 -0.491 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -54.58 -42.31 70.89 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.924 0.783 . . . . 0.0 112.056 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 26.9 p-90 -57.02 -41.09 77.92 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.317 0.508 . . . . 0.0 111.638 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.28 -47.56 64.21 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.957 0.903 . . . . 0.0 111.636 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.72 97.19 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.438 0.563 . . . . 0.0 111.225 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -59.42 -42.79 92.64 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.906 0.882 . . . . 0.0 110.564 172.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -57.83 -47.74 81.79 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.088 0.555 . . . . 0.0 110.177 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 . . . . . 0 CA--C 1.533 0.321 0 C-N-CA 124.324 1.05 . . . . 0.0 110.891 -179.872 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.46 0.054 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -53.2 -40.65 64.59 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.679 1.192 . . . . 0.0 111.484 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -59.44 -41.66 90.14 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.849 0.86 . . . . 0.0 112.246 176.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.1 mt -66.85 -51.22 58.14 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 123.163 0.585 . . . . 0.0 109.963 178.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.18 -41.0 64.81 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.277 0.631 . . . . 0.0 111.675 177.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.74 -47.38 69.46 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.884 0.873 . . . . 0.0 112.342 175.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -30.32 70.43 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.947 0.794 . . . . 0.0 112.071 -174.266 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 . . . . . 0 CA--C 1.532 0.267 0 C-N-CA 123.411 0.684 . . . . 0.0 111.038 178.824 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 tp . . . . . 0 N--CA 1.457 -0.101 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -51.01 -49.84 59.68 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.235 1.014 . . . . 0.0 110.584 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.3 p-90 -73.31 -27.15 61.37 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.85 -47.37 72.15 Favored 'General case' 0 C--N 1.342 0.239 0 CA-C-N 118.799 0.727 . . . . 0.0 109.717 173.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.95 -42.22 84.46 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.544 0.738 . . . . 0.0 111.057 178.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -59.56 -52.64 64.67 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.09 0.556 . . . . 0.0 110.599 172.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -52.58 -49.66 64.55 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.683 1.193 . . . . 0.0 111.501 -177.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 . . . . . 0 CA--C 1.53 0.207 0 C-N-CA 124.045 0.938 . . . . 0.0 111.358 -175.441 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.058 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -76.99 85.56 3.51 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.474 0.709 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.63 61.19 5.61 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.014 0.925 . . . . 0.0 110.126 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.12 75.66 0.04 OUTLIER Glycine 0 CA--C 1.529 0.942 0 N-CA-C 110.214 -1.155 . . . . 0.0 110.214 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -75.08 76.03 3.55 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 123.929 3.086 . . . . 0.0 110.489 -176.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -156.76 -47.62 0.07 Allowed 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.928 1.291 . . . . 0.0 108.964 -172.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -55.48 -47.2 76.52 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.346 0.658 . . . . 0.0 111.301 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 47.4 p-90 -62.03 -38.36 88.4 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.916 0.486 . . . . 0.0 111.836 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.2 mt -64.67 -42.35 95.43 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 122.642 0.377 . . . . 0.0 110.828 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.07 -45.55 92.52 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.363 0.529 . . . . 0.0 111.154 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -58.69 -47.95 82.78 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.234 0.614 . . . . 0.0 110.761 173.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -58.25 -45.01 88.57 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.254 1.021 . . . . 0.0 111.263 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -60.97 -48.81 80.09 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.818 0.847 . . . . 0.0 109.958 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -79.52 61.18 3.47 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.422 0.689 . . . . 0.0 109.856 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.24 -60.44 0.06 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -177.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.049 0 O-C-N 122.378 -0.483 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.045 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -64.39 141.67 58.69 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.702 0.801 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.33 74.79 1.87 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.075 0.95 . . . . 0.0 110.839 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.22 -80.85 0.09 OUTLIER Glycine 0 CA--C 1.528 0.884 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -78.53 67.86 8.22 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 124.059 3.173 . . . . 0.0 109.953 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -160.07 -46.69 0.05 OUTLIER 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 125.041 1.336 . . . . 0.0 108.685 -171.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -52.63 -50.08 63.87 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.373 1.069 . . . . 0.0 111.195 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -64.45 -38.73 92.05 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.018 0.527 . . . . 0.0 111.755 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.3 mt -63.25 -42.66 99.21 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 122.853 0.461 . . . . 0.0 110.906 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.49 98.68 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.139 0.576 . . . . 0.0 111.178 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -57.12 -49.73 75.01 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 122.915 0.486 . . . . 0.0 110.564 172.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -58.18 -44.17 87.86 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.238 1.015 . . . . 0.0 111.372 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -62.68 -50.28 71.8 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.606 0.763 . . . . 0.0 110.748 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -61.31 -57.95 10.26 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.599 0.36 . . . . 0.0 110.172 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.03 59.91 4.9 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 176.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.019 0 O-C-N 122.388 -0.478 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 68.6 ttt-85 -79.98 69.06 6.28 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.022 0.929 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.29 63.04 7.52 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.22 1.008 . . . . 0.0 110.986 -174.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.72 83.21 0.09 OUTLIER Glycine 0 CA--C 1.533 1.157 0 CA-C-O 118.657 -1.079 . . . . 0.0 111.905 176.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -65.88 73.82 0.33 Allowed 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 124.858 3.705 . . . . 0.0 112.939 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.4 tp -160.15 -41.55 0.05 OUTLIER 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 125.108 1.363 . . . . 0.0 109.684 -174.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -50.81 -49.69 58.01 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 123.897 0.879 . . . . 0.0 110.972 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.4 p-90 -57.03 -42.76 81.04 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.863 0.865 . . . . 0.0 112.197 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.43 -47.98 77.05 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 122.766 0.426 . . . . 0.0 110.958 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.13 -44.85 92.06 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.03 0.532 . . . . 0.0 111.444 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -57.69 -48.97 78.03 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.02 0.928 . . . . 0.0 110.585 173.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -58.26 -44.21 88.27 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.012 0.925 . . . . 0.0 111.317 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -60.69 -46.81 88.94 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.779 0.832 . . . . 0.0 110.628 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -61.47 -55.83 26.88 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.618 0.367 . . . . 0.0 110.26 175.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.44 58.88 4.97 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.047 0 CA-C-N 117.142 0.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 -69.58 121.26 16.74 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.297 0.639 . . . . 0.0 109.583 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.51 61.01 4.09 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.913 0.885 . . . . 0.0 110.219 177.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.67 72.47 0.01 OUTLIER Glycine 0 CA--C 1.528 0.905 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -79.86 56.27 5.99 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 124.303 3.336 . . . . 0.0 110.67 -177.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.2 tp -160.38 -41.02 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 126.002 1.721 . . . . 0.0 108.955 -177.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -58.31 -32.15 68.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.295 0.638 . . . . 0.0 112.398 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.3 p-90 -60.15 -43.39 95.8 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.523 0.602 . . . . 0.0 111.232 173.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.22 -45.29 85.3 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 122.883 0.473 . . . . 0.0 110.719 174.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.94 84.3 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.84 0.456 . . . . 0.0 111.465 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -58.75 -53.06 62.62 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.264 1.026 . . . . 0.0 110.363 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -53.84 -46.64 71.28 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.609 1.163 . . . . 0.0 111.879 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -58.16 -47.21 84.07 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.96 0.904 . . . . 0.0 110.891 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -65.06 -40.55 94.88 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.877 0.471 . . . . 0.0 111.038 177.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.35 -55.49 0.04 OUTLIER Glycine 0 CA--C 1.527 0.827 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.05 0 O-C-N 122.237 -0.567 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.064 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -73.31 98.62 2.72 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.16 73.22 2.29 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.672 1.189 . . . . 0.0 110.769 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.61 -82.21 0.09 OUTLIER Glycine 0 C--N 1.338 0.688 0 N-CA-C 108.107 -1.997 . . . . 0.0 108.107 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -80.18 47.97 2.71 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 124.184 3.256 . . . . 0.0 109.775 172.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -160.55 -45.07 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.773 1.629 . . . . 0.0 108.321 -170.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -49.65 -46.27 49.45 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.799 1.24 . . . . 0.0 111.535 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 29.4 p-90 -59.48 -42.46 92.13 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.496 0.718 . . . . 0.0 111.838 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.4 mt -66.24 -41.36 90.12 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 123.319 0.648 . . . . 0.0 111.199 176.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.93 -48.53 81.15 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.239 0.472 . . . . 0.0 110.654 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -58.28 -43.46 87.99 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.654 0.782 . . . . 0.0 111.084 174.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -58.3 -44.46 88.57 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.345 0.658 . . . . 0.0 110.836 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -63.26 -45.91 89.33 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.62 0.768 . . . . 0.0 110.794 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -56.75 -45.54 81.94 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 122.866 0.466 . . . . 0.0 110.766 175.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.96 -51.85 56.78 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 123.964 0.792 . . . . 0.0 111.583 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.077 0 CA-C-N 117.234 0.517 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.011 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.6 tpt85 -66.5 121.29 15.01 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.803 0.841 . . . . 0.0 109.559 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.24 68.39 5.21 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.996 0.918 . . . . 0.0 110.851 -175.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.6 175.39 44.78 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.201 -1.16 . . . . 0.0 110.201 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -77.73 66.28 8.1 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 124.432 3.421 . . . . 0.0 109.831 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 tp -151.37 -31.16 0.17 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.341 1.456 . . . . 0.0 110.343 -174.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -53.97 -47.73 71.06 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.463 0.705 . . . . 0.0 110.973 174.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -61.03 -42.43 98.45 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.487 0.715 . . . . 0.0 111.79 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 40.5 mt -62.69 -43.37 98.98 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 122.869 0.468 . . . . 0.0 110.925 175.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.59 98.52 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.18 0.592 . . . . 0.0 111.131 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -57.69 -47.78 81.39 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.136 0.574 . . . . 0.0 110.576 172.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -59.1 -43.58 91.9 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.646 0.778 . . . . 0.0 111.171 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 -62.77 -46.46 87.94 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.692 0.797 . . . . 0.0 110.791 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -57.72 -55.65 32.18 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 122.779 0.431 . . . . 0.0 110.077 174.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.86 57.22 5.06 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.061 0 CA-C-N 117.206 0.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.017 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 57.8 ttt85 74.71 130.99 0.04 OUTLIER 'General case' 0 C--N 1.341 0.226 0 C-N-CA 126.512 1.925 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.11 70.33 3.49 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.704 0.802 . . . . 0.0 108.986 171.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.05 -175.15 41.46 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -175.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -77.41 72.15 6.1 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 124.096 3.198 . . . . 0.0 110.397 -175.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.1 tp -156.77 -39.6 0.07 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.83 1.252 . . . . 0.0 110.114 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -50.74 -52.4 40.9 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.387 1.075 . . . . 0.0 110.954 177.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -59.05 -40.57 85.53 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.194 0.998 . . . . 0.0 111.89 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.4 tp -70.47 -38.48 74.43 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.48 1.112 . . . . 0.0 110.662 -175.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.19 -42.23 76.1 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.737 0.815 . . . . 0.0 111.108 176.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.59 -47.53 81.88 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.03 0.377 . . . . 0.0 110.458 171.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -55.11 -49.22 72.27 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.593 1.157 . . . . 0.0 110.592 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -56.87 -51.32 69.53 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.252 0.621 . . . . 0.0 111.555 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -62.01 -50.3 72.62 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.559 0.344 . . . . 0.0 111.228 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -179.78 65.74 0.07 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.366 -1.093 . . . . 0.0 110.366 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.084 0 O-C-N 122.43 -0.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.05 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -75.86 88.36 2.87 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.474 0.709 . . . . 0.0 109.434 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.46 56.4 3.28 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.057 0.943 . . . . 0.0 110.843 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.61 62.05 3.44 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.693 1.616 . . . . 0.0 114.222 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -79.19 59.61 7.46 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 124.137 3.224 . . . . 0.0 109.507 176.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.8 tp -160.22 -39.73 0.05 Allowed 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.093 1.357 . . . . 0.0 109.658 -171.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -55.33 -44.5 75.92 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.247 0.619 . . . . 0.0 110.653 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -61.53 -40.84 96.1 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.677 0.791 . . . . 0.0 111.757 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.2 mt -63.79 -44.08 94.41 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 122.745 0.418 . . . . 0.0 110.794 175.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.49 -45.01 95.33 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.199 0.6 . . . . 0.0 111.268 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.11 -48.76 80.43 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.449 0.7 . . . . 0.0 110.796 173.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -57.53 -45.23 85.29 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.255 1.022 . . . . 0.0 111.343 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -60.52 -48.86 79.91 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.787 0.835 . . . . 0.0 109.925 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -81.25 56.88 3.0 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.3 0.64 . . . . 0.0 109.883 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.69 66.67 3.68 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.082 0.849 . . . . 0.0 110.986 -176.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.079 0 O-C-N 122.414 -0.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.027 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -73.79 101.47 3.73 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.96 78.53 3.51 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.132 0.973 . . . . 0.0 110.478 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.76 -65.94 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.076 -1.209 . . . . 0.0 110.076 175.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -66.27 74.45 0.37 Allowed 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 124.491 3.461 . . . . 0.0 112.054 175.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 tp -139.21 -38.85 0.49 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 125.451 1.5 . . . . 0.0 110.05 -174.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -52.43 -44.27 65.36 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 123.438 0.695 . . . . 0.0 111.862 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.2 p-90 -58.05 -43.74 87.03 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.239 0.472 . . . . 0.0 111.759 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.69 -50.08 70.61 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 123.007 0.523 . . . . 0.0 110.82 175.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.82 -44.81 90.94 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.258 0.623 . . . . 0.0 111.699 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -56.13 -51.83 66.53 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.359 1.063 . . . . 0.0 110.265 172.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -57.93 -43.74 86.49 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.63 0.772 . . . . 0.0 111.444 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -60.25 -46.11 90.94 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.924 0.89 . . . . 0.0 110.512 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -61.95 -42.55 99.24 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.672 0.389 . . . . 0.0 110.884 174.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.83 -58.37 0.05 OUTLIER Glycine 0 CA--C 1.527 0.837 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.1 0 O-C-N 122.246 -0.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.5 ttm105 -79.31 73.45 5.93 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.793 0.837 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.84 70.49 6.39 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.23 1.012 . . . . 0.0 110.128 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.76 -173.49 31.31 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.006 0.812 . . . . 0.0 111.43 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -76.83 65.72 7.61 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 124.323 3.349 . . . . 0.0 109.91 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.6 tp -160.33 -38.46 0.05 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.855 1.662 . . . . 0.0 109.435 -172.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -51.09 -49.63 60.3 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 123.834 0.854 . . . . 0.0 110.685 175.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 -58.35 -42.96 88.05 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.692 0.797 . . . . 0.0 112.112 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.03 -48.68 79.21 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 122.643 0.377 . . . . 0.0 110.782 176.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.31 -45.81 92.07 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.356 0.662 . . . . 0.0 111.573 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -57.09 -46.45 82.54 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.029 0.932 . . . . 0.0 110.744 173.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -63.51 -41.59 98.51 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.96 0.904 . . . . 0.0 111.408 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -59.99 -48.31 82.22 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.72 0.808 . . . . 0.0 110.398 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -62.39 -38.02 88.0 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.864 0.466 . . . . 0.0 111.096 174.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.22 50.43 3.23 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 109.969 -1.253 . . . . 0.0 109.969 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.011 0 O-C-N 122.385 -0.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.016 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 49.2 ttp85 56.54 62.53 2.27 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.932 1.293 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.02 71.78 4.51 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.16 0.984 . . . . 0.0 110.407 -177.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.51 74.19 0.19 Allowed Glycine 0 CA--C 1.527 0.839 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -75.22 73.69 4.36 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 124.01 3.14 . . . . 0.0 110.42 -175.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -159.84 -48.35 0.05 Allowed 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 125.381 1.472 . . . . 0.0 108.768 -172.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -53.41 -47.23 69.76 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.095 0.958 . . . . 0.0 111.417 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 34.5 p-90 -61.45 -41.73 97.66 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.22 0.608 . . . . 0.0 111.658 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.0 mt -63.48 -42.11 98.58 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.184 0.594 . . . . 0.0 110.994 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.95 79.71 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.756 0.422 . . . . 0.0 110.658 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -57.76 -44.42 86.14 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.172 0.589 . . . . 0.0 111.222 174.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -57.82 -43.32 85.68 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.702 0.801 . . . . 0.0 111.051 178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -65.13 -45.85 83.37 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.524 0.73 . . . . 0.0 110.862 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -55.27 -43.92 75.16 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 123.005 0.522 . . . . 0.0 110.598 174.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.54 -53.65 44.24 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 123.957 0.789 . . . . 0.0 111.389 176.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.07 0 O-C-N 122.262 -0.552 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -69.88 106.79 3.29 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.534 0.734 . . . . 0.0 109.611 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.96 55.74 3.2 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.871 0.868 . . . . 0.0 110.698 178.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.09 69.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.991 0.805 . . . . 0.0 111.261 176.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -81.87 57.56 6.35 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 123.799 3.0 . . . . 0.0 109.736 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tt -128.86 -49.9 1.23 Allowed 'General case' 0 C--N 1.339 0.12 0 C-N-CA 124.787 1.235 . . . . 0.0 109.365 -171.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -53.18 -40.57 64.47 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.207 0.603 . . . . 0.0 111.852 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 38.4 p-90 -62.34 -42.89 99.75 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.869 0.468 . . . . 0.0 111.728 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.01 -45.23 89.9 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.122 0.569 . . . . 0.0 110.869 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.66 -45.89 90.68 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.157 0.583 . . . . 0.0 111.014 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.22 -45.42 94.63 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.501 0.72 . . . . 0.0 111.095 174.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -58.13 -41.25 83.27 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.975 0.91 . . . . 0.0 111.239 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -65.12 -40.77 94.95 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.598 0.759 . . . . 0.0 110.216 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -77.32 55.33 1.21 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.96 0.904 . . . . 0.0 110.693 173.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.71 54.05 37.52 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.236 0.922 . . . . 0.0 112.412 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.106 0 O-C-N 122.293 -0.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.056 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -69.09 148.06 50.54 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.327 0.651 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.44 71.22 1.29 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.241 1.016 . . . . 0.0 108.8 170.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.88 75.11 0.13 Allowed Glycine 0 CA--C 1.528 0.852 0 N-CA-C 107.501 -2.24 . . . . 0.0 107.501 -169.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -80.79 63.38 8.77 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.963 3.109 . . . . 0.0 110.738 -170.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.0 tp -160.23 -41.7 0.05 OUTLIER 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 125.123 1.369 . . . . 0.0 109.664 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -56.84 -38.74 73.09 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.352 0.661 . . . . 0.0 111.117 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 49.2 p-90 -60.21 -43.68 95.79 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.943 0.497 . . . . 0.0 111.756 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.5 mt -63.83 -46.77 83.56 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 122.912 0.485 . . . . 0.0 110.781 175.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.91 75.64 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 122.61 0.364 . . . . 0.0 110.867 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -58.23 -47.29 84.01 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.848 1.259 . . . . 0.0 111.352 175.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -54.49 -46.1 73.37 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.619 0.768 . . . . 0.0 110.792 177.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -61.25 -42.78 99.22 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.547 0.739 . . . . 0.0 111.543 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -79.82 53.63 1.69 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.423 0.556 . . . . 0.0 110.992 175.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.12 -59.77 0.05 OUTLIER Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.069 -1.213 . . . . 0.0 110.069 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.046 0 O-C-N 122.42 -0.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.018 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -68.0 120.44 14.25 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.46 0.704 . . . . 0.0 109.474 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.94 70.8 3.4 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.071 0.948 . . . . 0.0 110.509 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.95 -76.21 0.02 OUTLIER Glycine 0 CA--C 1.526 0.766 0 N-CA-C 108.021 -2.032 . . . . 0.0 108.021 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -77.96 55.6 5.36 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 124.158 3.239 . . . . 0.0 109.392 170.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 tt -160.58 -45.21 0.05 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.901 1.68 . . . . 0.0 108.699 -171.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -54.49 -38.0 65.95 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.35 0.66 . . . . 0.0 112.01 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 47.4 p-90 -56.95 -45.17 83.01 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.365 0.53 . . . . 0.0 111.632 174.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.5 mt -65.55 -48.05 73.74 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 122.925 0.49 . . . . 0.0 111.346 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.95 81.67 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 122.774 0.43 . . . . 0.0 111.894 -176.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.64 -51.29 65.83 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 124.049 0.94 . . . . 0.0 110.17 171.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -54.79 -43.8 73.17 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.116 0.966 . . . . 0.0 111.069 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.0 m-30 -64.2 -49.12 73.26 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.26 1.024 . . . . 0.0 109.664 177.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -80.31 68.64 6.54 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.974 0.91 . . . . 0.0 109.59 177.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.61 -56.15 3.07 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.145 0.879 . . . . 0.0 111.272 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.08 0 O-C-N 122.125 -0.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.013 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -156.41 152.84 28.01 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.215 1.006 . . . . 0.0 108.653 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.29 123.94 19.18 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.734 0.814 . . . . 0.0 110.444 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.82 -55.12 26.54 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-O 118.737 -1.035 . . . . 0.0 111.125 176.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -64.28 74.47 0.19 Allowed 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 125.009 3.806 . . . . 0.0 112.173 175.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.3 tp -160.11 -40.71 0.05 Allowed 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 125.328 1.451 . . . . 0.0 109.504 -173.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.19 -46.88 62.29 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.787 0.835 . . . . 0.0 110.403 177.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 29.4 p-90 -65.42 -36.47 84.02 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.853 0.861 . . . . 0.0 112.763 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.08 -48.43 80.23 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 118.563 0.62 . . . . 0.0 109.732 172.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.34 98.34 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.537 0.735 . . . . 0.0 111.672 -178.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.24 -45.84 90.09 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.107 0.563 . . . . 0.0 110.542 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.21 -42.49 95.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.935 0.494 . . . . 0.0 111.045 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.1 m-30 -59.26 -38.98 81.43 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.463 0.705 . . . . 0.0 110.579 176.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -77.4 59.75 1.91 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.676 0.79 . . . . 0.0 109.462 170.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.24 -165.55 37.83 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -174.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.062 0 O-C-N 122.316 -0.52 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? 57.33 91.2 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.124 1.77 . . . . 0.0 111.644 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.28 75.13 2.4 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.851 0.86 . . . . 0.0 109.312 172.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.84 -67.54 2.15 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 125.218 1.389 . . . . 0.0 112.762 -174.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -80.49 54.26 5.14 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 124.066 3.178 . . . . 0.0 110.658 -176.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -160.56 -42.4 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 126.356 1.862 . . . . 0.0 108.071 -175.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -46.36 -46.03 18.1 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.709 1.204 . . . . 0.0 112.068 176.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -61.17 -41.38 96.68 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.969 0.908 . . . . 0.0 112.01 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.6 mt -64.16 -43.97 93.54 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.068 0.395 . . . . 0.0 110.714 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.88 89.79 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.128 0.422 . . . . 0.0 111.429 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.11 -51.08 71.21 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.403 0.681 . . . . 0.0 110.577 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -56.08 -44.76 79.29 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.609 1.164 . . . . 0.0 111.658 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -60.28 -47.3 86.61 Favored 'General case' 0 C--N 1.34 0.155 0 C-N-CA 123.538 0.735 . . . . 0.0 110.026 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -79.75 65.17 4.83 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.248 0.619 . . . . 0.0 109.733 174.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.34 -58.14 5.01 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 123.981 0.801 . . . . 0.0 111.472 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.099 0 O-C-N 122.272 -0.546 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.025 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -71.18 98.08 1.64 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.68 0.792 . . . . 0.0 109.753 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.5 67.45 6.36 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.764 0.826 . . . . 0.0 109.748 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.39 -113.27 5.01 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.621 1.105 . . . . 0.0 110.735 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -80.21 53.24 4.66 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 123.782 2.988 . . . . 0.0 110.904 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.3 tp -89.7 -27.66 19.94 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.754 1.222 . . . . 0.0 109.817 172.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -53.93 -45.49 71.26 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-O 118.485 -0.769 . . . . 0.0 112.348 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 27.0 p-90 -65.08 -35.08 80.02 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.299 0.954 . . . . 0.0 111.873 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.36 -53.02 61.07 Favored 'General case' 0 C--N 1.343 0.289 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 171.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.42 -39.97 89.33 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 122.929 0.492 . . . . 0.0 112.016 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -61.11 -47.68 85.16 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.288 1.035 . . . . 0.0 110.227 174.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.46 -42.93 93.15 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.569 0.748 . . . . 0.0 111.123 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -64.66 -47.26 79.13 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.287 1.035 . . . . 0.0 110.561 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -56.61 -46.67 80.77 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.433 0.693 . . . . 0.0 110.328 173.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.67 -64.56 4.18 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.061 0 O-C-N 122.481 -0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.043 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -68.83 78.0 0.31 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.681 1.192 . . . . 0.0 110.686 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.77 59.65 4.33 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.686 1.195 . . . . 0.0 108.883 172.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.09 70.9 0.04 OUTLIER Glycine 0 CA--C 1.529 0.946 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 -172.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -75.32 75.89 3.7 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 124.029 3.152 . . . . 0.0 108.468 177.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -129.76 -42.51 1.27 Allowed 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 125.264 1.425 . . . . 0.0 110.835 -169.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -54.58 -42.31 70.89 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.924 0.783 . . . . 0.0 112.056 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 26.9 p-90 -57.02 -41.09 77.92 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.317 0.508 . . . . 0.0 111.638 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.28 -47.56 64.21 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.957 0.903 . . . . 0.0 111.636 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.72 97.19 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.438 0.563 . . . . 0.0 111.225 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -59.42 -42.79 92.64 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.906 0.882 . . . . 0.0 110.564 172.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -57.83 -47.74 81.79 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.088 0.555 . . . . 0.0 110.177 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -55.64 -46.85 77.37 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.324 1.05 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -61.04 -48.33 82.27 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.508 0.723 . . . . 0.0 110.439 174.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 174.65 -69.88 0.09 OUTLIER Glycine 0 CA--C 1.527 0.843 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.031 0 O-C-N 122.261 -0.552 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.037 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -66.21 139.43 58.1 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.44 0.696 . . . . 0.0 109.778 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.99 73.19 2.17 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.672 0.789 . . . . 0.0 109.115 173.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -36.93 -72.01 0.17 Allowed Glycine 0 CA--C 1.529 0.913 0 C-N-CA 127.023 2.249 . . . . 0.0 114.82 -169.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -86.81 45.03 1.27 Allowed 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 124.051 3.167 . . . . 0.0 112.451 -169.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -160.46 -50.41 0.05 OUTLIER 'General case' 0 C--N 1.338 0.083 0 C-N-CA 123.718 0.807 . . . . 0.0 109.293 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -53.2 -40.65 64.59 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.679 1.192 . . . . 0.0 111.484 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -59.44 -41.66 90.14 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.849 0.86 . . . . 0.0 112.246 176.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.1 mt -66.85 -51.22 58.14 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 123.163 0.585 . . . . 0.0 109.963 178.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.18 -41.0 64.81 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.277 0.631 . . . . 0.0 111.675 177.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.74 -47.38 69.46 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.884 0.873 . . . . 0.0 112.342 175.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -30.32 70.43 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.947 0.794 . . . . 0.0 112.071 -174.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -60.2 -55.79 29.46 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.411 0.684 . . . . 0.0 111.038 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -69.56 -36.97 76.81 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.563 0.345 . . . . 0.0 111.462 -177.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.99 78.71 0.07 OUTLIER Glycine 0 C--N 1.34 0.763 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -178.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.111 0 O-C-N 122.501 -0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.043 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.0 ttt85 59.1 62.72 1.78 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.703 1.201 . . . . 0.0 110.146 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.04 148.87 51.37 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.416 0.686 . . . . 0.0 111.327 -175.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.64 62.88 5.64 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-O 119.063 -0.854 . . . . 0.0 111.583 -174.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -76.99 71.89 6.05 Favored 'Trans proline' 0 N--CA 1.454 -0.804 0 C-N-CA 123.733 2.955 . . . . 0.0 110.29 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 tp -148.25 -41.38 0.16 Allowed 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 125.613 1.565 . . . . 0.0 109.328 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -51.01 -49.84 59.68 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.235 1.014 . . . . 0.0 110.584 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.3 p-90 -73.31 -27.15 61.37 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.85 -47.37 72.15 Favored 'General case' 0 C--N 1.342 0.239 0 CA-C-N 118.799 0.727 . . . . 0.0 109.717 173.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.95 -42.22 84.46 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.544 0.738 . . . . 0.0 111.057 178.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -59.56 -52.64 64.67 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.09 0.556 . . . . 0.0 110.599 172.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -52.58 -49.66 64.55 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.683 1.193 . . . . 0.0 111.501 -177.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -58.59 -50.85 72.32 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.045 0.938 . . . . 0.0 111.358 -175.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -70.05 -36.46 75.01 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.397 0.679 . . . . 0.0 111.161 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.91 -66.41 3.77 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.083 0 O-C-N 122.44 -0.447 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -55.48 -47.2 76.52 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.346 0.658 . . . . 0.0 111.301 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 47.4 p-90 -62.03 -38.36 88.4 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.916 0.486 . . . . 0.0 111.836 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.2 mt -64.67 -42.35 95.43 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 122.642 0.377 . . . . 0.0 110.828 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.07 -45.55 92.52 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.363 0.529 . . . . 0.0 111.154 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -58.69 -47.95 82.78 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.234 0.614 . . . . 0.0 110.761 173.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -58.25 -45.01 88.57 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.254 1.021 . . . . 0.0 111.263 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 . . . . . 0 CA--C 1.529 0.161 0 C-N-CA 123.818 0.847 . . . . 0.0 109.958 177.606 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.457 -0.115 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -52.63 -50.08 63.87 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.373 1.069 . . . . 0.0 111.195 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -64.45 -38.73 92.05 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.018 0.527 . . . . 0.0 111.755 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.3 mt -63.25 -42.66 99.21 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 122.853 0.461 . . . . 0.0 110.906 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.49 98.68 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.139 0.576 . . . . 0.0 111.178 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -57.12 -49.73 75.01 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 122.915 0.486 . . . . 0.0 110.564 172.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -58.18 -44.17 87.86 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.238 1.015 . . . . 0.0 111.372 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 . . . . . 0 CA--C 1.529 0.143 0 C-N-CA 123.606 0.763 . . . . 0.0 110.748 -179.153 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.4 tp . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -50.81 -49.69 58.01 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 123.897 0.879 . . . . 0.0 110.972 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.4 p-90 -57.03 -42.76 81.04 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.863 0.865 . . . . 0.0 112.197 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.43 -47.98 77.05 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 122.766 0.426 . . . . 0.0 110.958 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.13 -44.85 92.06 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.03 0.532 . . . . 0.0 111.444 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -57.69 -48.97 78.03 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.02 0.928 . . . . 0.0 110.585 173.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -58.26 -44.21 88.27 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.012 0.925 . . . . 0.0 111.317 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 . . . . . 0 CA--C 1.531 0.232 0 C-N-CA 123.779 0.832 . . . . 0.0 110.628 -178.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.2 tp . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -58.31 -32.15 68.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.295 0.638 . . . . 0.0 112.398 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.3 p-90 -60.15 -43.39 95.8 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.523 0.602 . . . . 0.0 111.232 173.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.22 -45.29 85.3 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 122.883 0.473 . . . . 0.0 110.719 174.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.94 84.3 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.84 0.456 . . . . 0.0 111.465 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -58.75 -53.06 62.62 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.264 1.026 . . . . 0.0 110.363 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -53.84 -46.64 71.28 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.609 1.163 . . . . 0.0 111.879 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 . . . . . 0 CA--C 1.53 0.18 0 C-N-CA 123.96 0.904 . . . . 0.0 110.891 -179.355 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -49.65 -46.27 49.45 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.799 1.24 . . . . 0.0 111.535 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 29.4 p-90 -59.48 -42.46 92.13 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.496 0.718 . . . . 0.0 111.838 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.4 mt -66.24 -41.36 90.12 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 123.319 0.648 . . . . 0.0 111.199 176.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.93 -48.53 81.15 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.239 0.472 . . . . 0.0 110.654 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -58.28 -43.46 87.99 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.654 0.782 . . . . 0.0 111.084 174.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -58.3 -44.46 88.57 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.345 0.658 . . . . 0.0 110.836 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 . . . . . 0 CA--C 1.531 0.223 0 C-N-CA 123.62 0.768 . . . . 0.0 110.794 179.721 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 tp . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 119.43 -0.319 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -53.97 -47.73 71.06 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.463 0.705 . . . . 0.0 110.973 174.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -61.03 -42.43 98.45 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.487 0.715 . . . . 0.0 111.79 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 40.5 mt -62.69 -43.37 98.98 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 122.869 0.468 . . . . 0.0 110.925 175.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.59 98.52 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.18 0.592 . . . . 0.0 111.131 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -57.69 -47.78 81.39 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.136 0.574 . . . . 0.0 110.576 172.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -59.1 -43.58 91.9 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.646 0.778 . . . . 0.0 111.171 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 . . . . . 0 CA--C 1.53 0.179 0 C-N-CA 123.692 0.797 . . . . 0.0 110.791 -179.918 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.1 tp . . . . . 0 CA--C 1.529 0.155 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -50.74 -52.4 40.9 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.387 1.075 . . . . 0.0 110.954 177.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -59.05 -40.57 85.53 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.194 0.998 . . . . 0.0 111.89 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.4 tp -70.47 -38.48 74.43 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.48 1.112 . . . . 0.0 110.662 -175.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.19 -42.23 76.1 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.737 0.815 . . . . 0.0 111.108 176.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.59 -47.53 81.88 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.03 0.377 . . . . 0.0 110.458 171.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -55.11 -49.22 72.27 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.593 1.157 . . . . 0.0 110.592 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 . . . . . 0 CA--C 1.531 0.213 0 C-N-CA 123.252 0.621 . . . . 0.0 111.555 178.608 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.8 tp . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -55.33 -44.5 75.92 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.247 0.619 . . . . 0.0 110.653 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -61.53 -40.84 96.1 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.677 0.791 . . . . 0.0 111.757 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.2 mt -63.79 -44.08 94.41 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 122.745 0.418 . . . . 0.0 110.794 175.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.49 -45.01 95.33 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.199 0.6 . . . . 0.0 111.268 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.11 -48.76 80.43 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.449 0.7 . . . . 0.0 110.796 173.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -57.53 -45.23 85.29 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.255 1.022 . . . . 0.0 111.343 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 . . . . . 0 CA--C 1.528 0.127 0 C-N-CA 123.787 0.835 . . . . 0.0 109.925 177.691 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 tp . . . . . 0 CA--C 1.529 0.152 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -52.43 -44.27 65.36 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 123.438 0.695 . . . . 0.0 111.862 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.2 p-90 -58.05 -43.74 87.03 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.239 0.472 . . . . 0.0 111.759 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.69 -50.08 70.61 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 123.007 0.523 . . . . 0.0 110.82 175.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.82 -44.81 90.94 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.258 0.623 . . . . 0.0 111.699 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -56.13 -51.83 66.53 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.359 1.063 . . . . 0.0 110.265 172.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -57.93 -43.74 86.49 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.63 0.772 . . . . 0.0 111.444 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 . . . . . 0 CA--C 1.53 0.206 0 C-N-CA 123.924 0.89 . . . . 0.0 110.512 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.6 tp . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -51.09 -49.63 60.3 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 123.834 0.854 . . . . 0.0 110.685 175.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 -58.35 -42.96 88.05 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.692 0.797 . . . . 0.0 112.112 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.03 -48.68 79.21 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 122.643 0.377 . . . . 0.0 110.782 176.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.31 -45.81 92.07 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.356 0.662 . . . . 0.0 111.573 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -57.09 -46.45 82.54 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.029 0.932 . . . . 0.0 110.744 173.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -63.51 -41.59 98.51 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.96 0.904 . . . . 0.0 111.408 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 . . . . . 0 CA--C 1.531 0.217 0 C-N-CA 123.72 0.808 . . . . 0.0 110.398 178.394 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.456 -0.159 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -53.41 -47.23 69.76 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.095 0.958 . . . . 0.0 111.417 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 34.5 p-90 -61.45 -41.73 97.66 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.22 0.608 . . . . 0.0 111.658 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.0 mt -63.48 -42.11 98.58 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.184 0.594 . . . . 0.0 110.994 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.95 79.71 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.756 0.422 . . . . 0.0 110.658 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -57.76 -44.42 86.14 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.172 0.589 . . . . 0.0 111.222 174.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -57.82 -43.32 85.68 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.702 0.801 . . . . 0.0 111.051 178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 . . . . . 0 CA--C 1.529 0.173 0 C-N-CA 123.524 0.73 . . . . 0.0 110.862 179.375 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 C--O 1.227 -0.116 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -53.18 -40.57 64.47 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.207 0.603 . . . . 0.0 111.852 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 38.4 p-90 -62.34 -42.89 99.75 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.869 0.468 . . . . 0.0 111.728 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.01 -45.23 89.9 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.122 0.569 . . . . 0.0 110.869 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.66 -45.89 90.68 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.157 0.583 . . . . 0.0 111.014 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.22 -45.42 94.63 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.501 0.72 . . . . 0.0 111.095 174.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -58.13 -41.25 83.27 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.975 0.91 . . . . 0.0 111.239 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 . . . . . 0 CA--C 1.53 0.209 0 C-N-CA 123.598 0.759 . . . . 0.0 110.216 176.925 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.0 tp . . . . . 0 N--CA 1.456 -0.134 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -56.84 -38.74 73.09 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.352 0.661 . . . . 0.0 111.117 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 49.2 p-90 -60.21 -43.68 95.79 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.943 0.497 . . . . 0.0 111.756 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.5 mt -63.83 -46.77 83.56 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 122.912 0.485 . . . . 0.0 110.781 175.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.91 75.64 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 122.61 0.364 . . . . 0.0 110.867 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -58.23 -47.29 84.01 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.848 1.259 . . . . 0.0 111.352 175.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -54.49 -46.1 73.37 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.619 0.768 . . . . 0.0 110.792 177.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 . . . . . 0 CA--C 1.532 0.282 0 C-N-CA 123.547 0.739 . . . . 0.0 111.543 -176.367 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 tt . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -54.49 -38.0 65.95 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.35 0.66 . . . . 0.0 112.01 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 47.4 p-90 -56.95 -45.17 83.01 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.365 0.53 . . . . 0.0 111.632 174.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.5 mt -65.55 -48.05 73.74 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 122.925 0.49 . . . . 0.0 111.346 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.95 81.67 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 122.774 0.43 . . . . 0.0 111.894 -176.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.64 -51.29 65.83 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 124.049 0.94 . . . . 0.0 110.17 171.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -54.79 -43.8 73.17 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.116 0.966 . . . . 0.0 111.069 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.0 m-30 . . . . . 0 N--CA 1.454 -0.258 0 C-N-CA 124.26 1.024 . . . . 0.0 109.664 177.535 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.3 tp . . . . . 0 N--CA 1.457 -0.122 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.19 -46.88 62.29 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.787 0.835 . . . . 0.0 110.403 177.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 29.4 p-90 -65.42 -36.47 84.02 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.853 0.861 . . . . 0.0 112.763 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.08 -48.43 80.23 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 118.563 0.62 . . . . 0.0 109.732 172.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.34 98.34 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.537 0.735 . . . . 0.0 111.672 -178.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.24 -45.84 90.09 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.107 0.563 . . . . 0.0 110.542 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.21 -42.49 95.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.935 0.494 . . . . 0.0 111.045 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.1 m-30 . . . . . 0 CA--C 1.531 0.245 0 C-N-CA 123.463 0.705 . . . . 0.0 110.579 176.502 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.455 -0.175 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -46.36 -46.03 18.1 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.709 1.204 . . . . 0.0 112.068 176.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -61.17 -41.38 96.68 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.969 0.908 . . . . 0.0 112.01 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.6 mt -64.16 -43.97 93.54 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.068 0.395 . . . . 0.0 110.714 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.88 89.79 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.128 0.422 . . . . 0.0 111.429 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.11 -51.08 71.21 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.403 0.681 . . . . 0.0 110.577 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -56.08 -44.76 79.29 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.609 1.164 . . . . 0.0 111.658 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 . . . . . 0 C--N 1.34 0.155 0 C-N-CA 123.538 0.735 . . . . 0.0 110.026 177.862 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.3 tp . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -53.93 -45.49 71.26 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-O 118.485 -0.769 . . . . 0.0 112.348 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 27.0 p-90 -65.08 -35.08 80.02 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.299 0.954 . . . . 0.0 111.873 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.36 -53.02 61.07 Favored 'General case' 0 C--N 1.343 0.289 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 171.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.42 -39.97 89.33 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 122.929 0.492 . . . . 0.0 112.016 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -61.11 -47.68 85.16 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.288 1.035 . . . . 0.0 110.227 174.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.46 -42.93 93.15 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.569 0.748 . . . . 0.0 111.123 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 . . . . . 0 CA--C 1.53 0.202 0 C-N-CA 124.287 1.035 . . . . 0.0 110.561 -179.29 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 C--O 1.226 -0.169 0 CA-C-O 119.07 -0.491 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -54.58 -42.31 70.89 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.924 0.783 . . . . 0.0 112.056 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 26.9 p-90 -57.02 -41.09 77.92 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.317 0.508 . . . . 0.0 111.638 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.28 -47.56 64.21 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.957 0.903 . . . . 0.0 111.636 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.72 97.19 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.438 0.563 . . . . 0.0 111.225 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -59.42 -42.79 92.64 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.906 0.882 . . . . 0.0 110.564 172.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -57.83 -47.74 81.79 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.088 0.555 . . . . 0.0 110.177 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 . . . . . 0 CA--C 1.533 0.321 0 C-N-CA 124.324 1.05 . . . . 0.0 110.891 -179.872 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.46 0.054 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -53.2 -40.65 64.59 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.679 1.192 . . . . 0.0 111.484 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -59.44 -41.66 90.14 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.849 0.86 . . . . 0.0 112.246 176.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.1 mt -66.85 -51.22 58.14 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 123.163 0.585 . . . . 0.0 109.963 178.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.18 -41.0 64.81 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.277 0.631 . . . . 0.0 111.675 177.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.74 -47.38 69.46 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.884 0.873 . . . . 0.0 112.342 175.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -30.32 70.43 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.947 0.794 . . . . 0.0 112.071 -174.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 . . . . . 0 CA--C 1.532 0.267 0 C-N-CA 123.411 0.684 . . . . 0.0 111.038 178.824 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 tp . . . . . 0 N--CA 1.457 -0.101 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -51.01 -49.84 59.68 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.235 1.014 . . . . 0.0 110.584 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.3 p-90 -73.31 -27.15 61.37 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.85 -47.37 72.15 Favored 'General case' 0 C--N 1.342 0.239 0 CA-C-N 118.799 0.727 . . . . 0.0 109.717 173.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.95 -42.22 84.46 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.544 0.738 . . . . 0.0 111.057 178.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -59.56 -52.64 64.67 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.09 0.556 . . . . 0.0 110.599 172.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -52.58 -49.66 64.55 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.683 1.193 . . . . 0.0 111.501 -177.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 . . . . . 0 CA--C 1.53 0.207 0 C-N-CA 124.045 0.938 . . . . 0.0 111.358 -175.441 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.058 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -76.99 85.56 3.51 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.474 0.709 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.63 61.19 5.61 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.014 0.925 . . . . 0.0 110.126 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.12 75.66 0.04 OUTLIER Glycine 0 CA--C 1.529 0.942 0 N-CA-C 110.214 -1.155 . . . . 0.0 110.214 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -75.08 76.03 3.55 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 123.929 3.086 . . . . 0.0 110.489 -176.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -156.76 -47.62 0.07 Allowed 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.928 1.291 . . . . 0.0 108.964 -172.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -55.48 -47.2 76.52 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.346 0.658 . . . . 0.0 111.301 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 47.4 p-90 -62.03 -38.36 88.4 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.916 0.486 . . . . 0.0 111.836 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.2 mt -64.67 -42.35 95.43 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 122.642 0.377 . . . . 0.0 110.828 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.07 -45.55 92.52 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.363 0.529 . . . . 0.0 111.154 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -58.69 -47.95 82.78 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.234 0.614 . . . . 0.0 110.761 173.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -58.25 -45.01 88.57 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.254 1.021 . . . . 0.0 111.263 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -60.97 -48.81 80.09 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.818 0.847 . . . . 0.0 109.958 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -79.52 61.18 3.47 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.422 0.689 . . . . 0.0 109.856 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.24 -60.44 0.06 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -177.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.049 0 O-C-N 122.378 -0.483 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.045 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -64.39 141.67 58.69 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.702 0.801 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.33 74.79 1.87 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.075 0.95 . . . . 0.0 110.839 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.22 -80.85 0.09 OUTLIER Glycine 0 CA--C 1.528 0.884 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -78.53 67.86 8.22 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 124.059 3.173 . . . . 0.0 109.953 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -160.07 -46.69 0.05 OUTLIER 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 125.041 1.336 . . . . 0.0 108.685 -171.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -52.63 -50.08 63.87 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.373 1.069 . . . . 0.0 111.195 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -64.45 -38.73 92.05 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.018 0.527 . . . . 0.0 111.755 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.3 mt -63.25 -42.66 99.21 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 122.853 0.461 . . . . 0.0 110.906 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.49 98.68 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.139 0.576 . . . . 0.0 111.178 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -57.12 -49.73 75.01 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 122.915 0.486 . . . . 0.0 110.564 172.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -58.18 -44.17 87.86 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.238 1.015 . . . . 0.0 111.372 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -62.68 -50.28 71.8 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.606 0.763 . . . . 0.0 110.748 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -61.31 -57.95 10.26 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.599 0.36 . . . . 0.0 110.172 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.03 59.91 4.9 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 176.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.019 0 O-C-N 122.388 -0.478 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 68.6 ttt-85 -79.98 69.06 6.28 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.022 0.929 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.29 63.04 7.52 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.22 1.008 . . . . 0.0 110.986 -174.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.72 83.21 0.09 OUTLIER Glycine 0 CA--C 1.533 1.157 0 CA-C-O 118.657 -1.079 . . . . 0.0 111.905 176.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -65.88 73.82 0.33 Allowed 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 124.858 3.705 . . . . 0.0 112.939 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.4 tp -160.15 -41.55 0.05 OUTLIER 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 125.108 1.363 . . . . 0.0 109.684 -174.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -50.81 -49.69 58.01 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 123.897 0.879 . . . . 0.0 110.972 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.4 p-90 -57.03 -42.76 81.04 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.863 0.865 . . . . 0.0 112.197 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.43 -47.98 77.05 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 122.766 0.426 . . . . 0.0 110.958 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.13 -44.85 92.06 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.03 0.532 . . . . 0.0 111.444 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -57.69 -48.97 78.03 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.02 0.928 . . . . 0.0 110.585 173.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -58.26 -44.21 88.27 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.012 0.925 . . . . 0.0 111.317 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -60.69 -46.81 88.94 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.779 0.832 . . . . 0.0 110.628 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -61.47 -55.83 26.88 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.618 0.367 . . . . 0.0 110.26 175.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.44 58.88 4.97 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.047 0 CA-C-N 117.142 0.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 -69.58 121.26 16.74 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.297 0.639 . . . . 0.0 109.583 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.51 61.01 4.09 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.913 0.885 . . . . 0.0 110.219 177.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.67 72.47 0.01 OUTLIER Glycine 0 CA--C 1.528 0.905 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -79.86 56.27 5.99 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 124.303 3.336 . . . . 0.0 110.67 -177.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.2 tp -160.38 -41.02 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 126.002 1.721 . . . . 0.0 108.955 -177.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -58.31 -32.15 68.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.295 0.638 . . . . 0.0 112.398 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.3 p-90 -60.15 -43.39 95.8 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.523 0.602 . . . . 0.0 111.232 173.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.22 -45.29 85.3 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 122.883 0.473 . . . . 0.0 110.719 174.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.94 84.3 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.84 0.456 . . . . 0.0 111.465 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -58.75 -53.06 62.62 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.264 1.026 . . . . 0.0 110.363 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -53.84 -46.64 71.28 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.609 1.163 . . . . 0.0 111.879 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -58.16 -47.21 84.07 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.96 0.904 . . . . 0.0 110.891 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -65.06 -40.55 94.88 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.877 0.471 . . . . 0.0 111.038 177.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.35 -55.49 0.04 OUTLIER Glycine 0 CA--C 1.527 0.827 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.05 0 O-C-N 122.237 -0.567 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.064 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -73.31 98.62 2.72 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.16 73.22 2.29 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.672 1.189 . . . . 0.0 110.769 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.61 -82.21 0.09 OUTLIER Glycine 0 C--N 1.338 0.688 0 N-CA-C 108.107 -1.997 . . . . 0.0 108.107 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -80.18 47.97 2.71 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 124.184 3.256 . . . . 0.0 109.775 172.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -160.55 -45.07 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.773 1.629 . . . . 0.0 108.321 -170.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -49.65 -46.27 49.45 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.799 1.24 . . . . 0.0 111.535 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 29.4 p-90 -59.48 -42.46 92.13 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.496 0.718 . . . . 0.0 111.838 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.4 mt -66.24 -41.36 90.12 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 123.319 0.648 . . . . 0.0 111.199 176.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.93 -48.53 81.15 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.239 0.472 . . . . 0.0 110.654 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -58.28 -43.46 87.99 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.654 0.782 . . . . 0.0 111.084 174.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -58.3 -44.46 88.57 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.345 0.658 . . . . 0.0 110.836 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -63.26 -45.91 89.33 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.62 0.768 . . . . 0.0 110.794 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -56.75 -45.54 81.94 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 122.866 0.466 . . . . 0.0 110.766 175.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.96 -51.85 56.78 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 123.964 0.792 . . . . 0.0 111.583 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.077 0 CA-C-N 117.234 0.517 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.011 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.6 tpt85 -66.5 121.29 15.01 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.803 0.841 . . . . 0.0 109.559 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.24 68.39 5.21 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.996 0.918 . . . . 0.0 110.851 -175.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.6 175.39 44.78 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.201 -1.16 . . . . 0.0 110.201 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -77.73 66.28 8.1 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 124.432 3.421 . . . . 0.0 109.831 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 tp -151.37 -31.16 0.17 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.341 1.456 . . . . 0.0 110.343 -174.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -53.97 -47.73 71.06 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.463 0.705 . . . . 0.0 110.973 174.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -61.03 -42.43 98.45 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.487 0.715 . . . . 0.0 111.79 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 40.5 mt -62.69 -43.37 98.98 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 122.869 0.468 . . . . 0.0 110.925 175.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.59 98.52 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.18 0.592 . . . . 0.0 111.131 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -57.69 -47.78 81.39 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.136 0.574 . . . . 0.0 110.576 172.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -59.1 -43.58 91.9 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.646 0.778 . . . . 0.0 111.171 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 -62.77 -46.46 87.94 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.692 0.797 . . . . 0.0 110.791 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -57.72 -55.65 32.18 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 122.779 0.431 . . . . 0.0 110.077 174.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.86 57.22 5.06 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.061 0 CA-C-N 117.206 0.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.017 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 57.8 ttt85 74.71 130.99 0.04 OUTLIER 'General case' 0 C--N 1.341 0.226 0 C-N-CA 126.512 1.925 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.11 70.33 3.49 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.704 0.802 . . . . 0.0 108.986 171.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.05 -175.15 41.46 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -175.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -77.41 72.15 6.1 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 124.096 3.198 . . . . 0.0 110.397 -175.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.1 tp -156.77 -39.6 0.07 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.83 1.252 . . . . 0.0 110.114 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -50.74 -52.4 40.9 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.387 1.075 . . . . 0.0 110.954 177.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -59.05 -40.57 85.53 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.194 0.998 . . . . 0.0 111.89 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.4 tp -70.47 -38.48 74.43 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.48 1.112 . . . . 0.0 110.662 -175.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.19 -42.23 76.1 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.737 0.815 . . . . 0.0 111.108 176.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.59 -47.53 81.88 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.03 0.377 . . . . 0.0 110.458 171.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -55.11 -49.22 72.27 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.593 1.157 . . . . 0.0 110.592 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -56.87 -51.32 69.53 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.252 0.621 . . . . 0.0 111.555 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -62.01 -50.3 72.62 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.559 0.344 . . . . 0.0 111.228 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -179.78 65.74 0.07 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.366 -1.093 . . . . 0.0 110.366 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.084 0 O-C-N 122.43 -0.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.05 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -75.86 88.36 2.87 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.474 0.709 . . . . 0.0 109.434 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.46 56.4 3.28 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.057 0.943 . . . . 0.0 110.843 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.61 62.05 3.44 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.693 1.616 . . . . 0.0 114.222 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -79.19 59.61 7.46 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 124.137 3.224 . . . . 0.0 109.507 176.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.8 tp -160.22 -39.73 0.05 Allowed 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.093 1.357 . . . . 0.0 109.658 -171.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -55.33 -44.5 75.92 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.247 0.619 . . . . 0.0 110.653 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -61.53 -40.84 96.1 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.677 0.791 . . . . 0.0 111.757 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.2 mt -63.79 -44.08 94.41 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 122.745 0.418 . . . . 0.0 110.794 175.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.49 -45.01 95.33 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.199 0.6 . . . . 0.0 111.268 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.11 -48.76 80.43 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.449 0.7 . . . . 0.0 110.796 173.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -57.53 -45.23 85.29 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.255 1.022 . . . . 0.0 111.343 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -60.52 -48.86 79.91 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.787 0.835 . . . . 0.0 109.925 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -81.25 56.88 3.0 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.3 0.64 . . . . 0.0 109.883 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.69 66.67 3.68 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.082 0.849 . . . . 0.0 110.986 -176.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.079 0 O-C-N 122.414 -0.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.027 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -73.79 101.47 3.73 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.96 78.53 3.51 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.132 0.973 . . . . 0.0 110.478 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.76 -65.94 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.076 -1.209 . . . . 0.0 110.076 175.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -66.27 74.45 0.37 Allowed 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 124.491 3.461 . . . . 0.0 112.054 175.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 tp -139.21 -38.85 0.49 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 125.451 1.5 . . . . 0.0 110.05 -174.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -52.43 -44.27 65.36 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 123.438 0.695 . . . . 0.0 111.862 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.2 p-90 -58.05 -43.74 87.03 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.239 0.472 . . . . 0.0 111.759 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.69 -50.08 70.61 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 123.007 0.523 . . . . 0.0 110.82 175.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.82 -44.81 90.94 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.258 0.623 . . . . 0.0 111.699 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -56.13 -51.83 66.53 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.359 1.063 . . . . 0.0 110.265 172.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -57.93 -43.74 86.49 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.63 0.772 . . . . 0.0 111.444 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -60.25 -46.11 90.94 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.924 0.89 . . . . 0.0 110.512 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -61.95 -42.55 99.24 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.672 0.389 . . . . 0.0 110.884 174.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.83 -58.37 0.05 OUTLIER Glycine 0 CA--C 1.527 0.837 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.1 0 O-C-N 122.246 -0.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.5 ttm105 -79.31 73.45 5.93 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.793 0.837 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.84 70.49 6.39 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.23 1.012 . . . . 0.0 110.128 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.76 -173.49 31.31 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.006 0.812 . . . . 0.0 111.43 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -76.83 65.72 7.61 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 124.323 3.349 . . . . 0.0 109.91 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.6 tp -160.33 -38.46 0.05 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.855 1.662 . . . . 0.0 109.435 -172.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -51.09 -49.63 60.3 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 123.834 0.854 . . . . 0.0 110.685 175.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 -58.35 -42.96 88.05 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.692 0.797 . . . . 0.0 112.112 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.03 -48.68 79.21 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 122.643 0.377 . . . . 0.0 110.782 176.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.31 -45.81 92.07 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.356 0.662 . . . . 0.0 111.573 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -57.09 -46.45 82.54 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.029 0.932 . . . . 0.0 110.744 173.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -63.51 -41.59 98.51 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.96 0.904 . . . . 0.0 111.408 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -59.99 -48.31 82.22 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.72 0.808 . . . . 0.0 110.398 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -62.39 -38.02 88.0 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.864 0.466 . . . . 0.0 111.096 174.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.22 50.43 3.23 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 109.969 -1.253 . . . . 0.0 109.969 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.011 0 O-C-N 122.385 -0.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.016 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 49.2 ttp85 56.54 62.53 2.27 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.932 1.293 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.02 71.78 4.51 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.16 0.984 . . . . 0.0 110.407 -177.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.51 74.19 0.19 Allowed Glycine 0 CA--C 1.527 0.839 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -75.22 73.69 4.36 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 124.01 3.14 . . . . 0.0 110.42 -175.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -159.84 -48.35 0.05 Allowed 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 125.381 1.472 . . . . 0.0 108.768 -172.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -53.41 -47.23 69.76 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.095 0.958 . . . . 0.0 111.417 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 34.5 p-90 -61.45 -41.73 97.66 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.22 0.608 . . . . 0.0 111.658 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.0 mt -63.48 -42.11 98.58 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.184 0.594 . . . . 0.0 110.994 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.95 79.71 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.756 0.422 . . . . 0.0 110.658 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -57.76 -44.42 86.14 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.172 0.589 . . . . 0.0 111.222 174.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -57.82 -43.32 85.68 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.702 0.801 . . . . 0.0 111.051 178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -65.13 -45.85 83.37 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.524 0.73 . . . . 0.0 110.862 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -55.27 -43.92 75.16 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 123.005 0.522 . . . . 0.0 110.598 174.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.54 -53.65 44.24 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 123.957 0.789 . . . . 0.0 111.389 176.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.07 0 O-C-N 122.262 -0.552 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -69.88 106.79 3.29 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.534 0.734 . . . . 0.0 109.611 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.96 55.74 3.2 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.871 0.868 . . . . 0.0 110.698 178.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.09 69.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.991 0.805 . . . . 0.0 111.261 176.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -81.87 57.56 6.35 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 123.799 3.0 . . . . 0.0 109.736 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tt -128.86 -49.9 1.23 Allowed 'General case' 0 C--N 1.339 0.12 0 C-N-CA 124.787 1.235 . . . . 0.0 109.365 -171.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -53.18 -40.57 64.47 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.207 0.603 . . . . 0.0 111.852 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 38.4 p-90 -62.34 -42.89 99.75 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.869 0.468 . . . . 0.0 111.728 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.01 -45.23 89.9 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.122 0.569 . . . . 0.0 110.869 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.66 -45.89 90.68 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.157 0.583 . . . . 0.0 111.014 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.22 -45.42 94.63 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.501 0.72 . . . . 0.0 111.095 174.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -58.13 -41.25 83.27 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.975 0.91 . . . . 0.0 111.239 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -65.12 -40.77 94.95 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.598 0.759 . . . . 0.0 110.216 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -77.32 55.33 1.21 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.96 0.904 . . . . 0.0 110.693 173.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.71 54.05 37.52 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.236 0.922 . . . . 0.0 112.412 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.106 0 O-C-N 122.293 -0.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.056 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -69.09 148.06 50.54 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.327 0.651 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.44 71.22 1.29 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.241 1.016 . . . . 0.0 108.8 170.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.88 75.11 0.13 Allowed Glycine 0 CA--C 1.528 0.852 0 N-CA-C 107.501 -2.24 . . . . 0.0 107.501 -169.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -80.79 63.38 8.77 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.963 3.109 . . . . 0.0 110.738 -170.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.0 tp -160.23 -41.7 0.05 OUTLIER 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 125.123 1.369 . . . . 0.0 109.664 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -56.84 -38.74 73.09 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.352 0.661 . . . . 0.0 111.117 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 49.2 p-90 -60.21 -43.68 95.79 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.943 0.497 . . . . 0.0 111.756 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.5 mt -63.83 -46.77 83.56 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 122.912 0.485 . . . . 0.0 110.781 175.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.91 75.64 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 122.61 0.364 . . . . 0.0 110.867 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -58.23 -47.29 84.01 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.848 1.259 . . . . 0.0 111.352 175.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -54.49 -46.1 73.37 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.619 0.768 . . . . 0.0 110.792 177.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -61.25 -42.78 99.22 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.547 0.739 . . . . 0.0 111.543 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -79.82 53.63 1.69 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.423 0.556 . . . . 0.0 110.992 175.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.12 -59.77 0.05 OUTLIER Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.069 -1.213 . . . . 0.0 110.069 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.046 0 O-C-N 122.42 -0.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.018 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -68.0 120.44 14.25 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.46 0.704 . . . . 0.0 109.474 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.94 70.8 3.4 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.071 0.948 . . . . 0.0 110.509 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.95 -76.21 0.02 OUTLIER Glycine 0 CA--C 1.526 0.766 0 N-CA-C 108.021 -2.032 . . . . 0.0 108.021 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -77.96 55.6 5.36 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 124.158 3.239 . . . . 0.0 109.392 170.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 tt -160.58 -45.21 0.05 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.901 1.68 . . . . 0.0 108.699 -171.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -54.49 -38.0 65.95 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.35 0.66 . . . . 0.0 112.01 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 47.4 p-90 -56.95 -45.17 83.01 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.365 0.53 . . . . 0.0 111.632 174.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.5 mt -65.55 -48.05 73.74 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 122.925 0.49 . . . . 0.0 111.346 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.95 81.67 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 122.774 0.43 . . . . 0.0 111.894 -176.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.64 -51.29 65.83 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 124.049 0.94 . . . . 0.0 110.17 171.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -54.79 -43.8 73.17 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.116 0.966 . . . . 0.0 111.069 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.0 m-30 -64.2 -49.12 73.26 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.26 1.024 . . . . 0.0 109.664 177.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -80.31 68.64 6.54 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.974 0.91 . . . . 0.0 109.59 177.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.61 -56.15 3.07 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.145 0.879 . . . . 0.0 111.272 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.08 0 O-C-N 122.125 -0.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.013 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -156.41 152.84 28.01 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.215 1.006 . . . . 0.0 108.653 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.29 123.94 19.18 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.734 0.814 . . . . 0.0 110.444 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.82 -55.12 26.54 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-O 118.737 -1.035 . . . . 0.0 111.125 176.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -64.28 74.47 0.19 Allowed 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 125.009 3.806 . . . . 0.0 112.173 175.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.3 tp -160.11 -40.71 0.05 Allowed 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 125.328 1.451 . . . . 0.0 109.504 -173.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.19 -46.88 62.29 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.787 0.835 . . . . 0.0 110.403 177.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 29.4 p-90 -65.42 -36.47 84.02 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.853 0.861 . . . . 0.0 112.763 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.08 -48.43 80.23 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 118.563 0.62 . . . . 0.0 109.732 172.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.34 98.34 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.537 0.735 . . . . 0.0 111.672 -178.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.24 -45.84 90.09 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.107 0.563 . . . . 0.0 110.542 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.21 -42.49 95.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.935 0.494 . . . . 0.0 111.045 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.1 m-30 -59.26 -38.98 81.43 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.463 0.705 . . . . 0.0 110.579 176.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -77.4 59.75 1.91 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.676 0.79 . . . . 0.0 109.462 170.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.24 -165.55 37.83 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -174.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.062 0 O-C-N 122.316 -0.52 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? 57.33 91.2 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.124 1.77 . . . . 0.0 111.644 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.28 75.13 2.4 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.851 0.86 . . . . 0.0 109.312 172.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.84 -67.54 2.15 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 125.218 1.389 . . . . 0.0 112.762 -174.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -80.49 54.26 5.14 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 124.066 3.178 . . . . 0.0 110.658 -176.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -160.56 -42.4 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 126.356 1.862 . . . . 0.0 108.071 -175.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -46.36 -46.03 18.1 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.709 1.204 . . . . 0.0 112.068 176.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -61.17 -41.38 96.68 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.969 0.908 . . . . 0.0 112.01 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.6 mt -64.16 -43.97 93.54 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.068 0.395 . . . . 0.0 110.714 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.88 89.79 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.128 0.422 . . . . 0.0 111.429 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.11 -51.08 71.21 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.403 0.681 . . . . 0.0 110.577 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -56.08 -44.76 79.29 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.609 1.164 . . . . 0.0 111.658 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -60.28 -47.3 86.61 Favored 'General case' 0 C--N 1.34 0.155 0 C-N-CA 123.538 0.735 . . . . 0.0 110.026 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -79.75 65.17 4.83 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.248 0.619 . . . . 0.0 109.733 174.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.34 -58.14 5.01 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 123.981 0.801 . . . . 0.0 111.472 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.099 0 O-C-N 122.272 -0.546 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.025 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -71.18 98.08 1.64 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.68 0.792 . . . . 0.0 109.753 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.5 67.45 6.36 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.764 0.826 . . . . 0.0 109.748 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.39 -113.27 5.01 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.621 1.105 . . . . 0.0 110.735 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -80.21 53.24 4.66 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 123.782 2.988 . . . . 0.0 110.904 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.3 tp -89.7 -27.66 19.94 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.754 1.222 . . . . 0.0 109.817 172.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -53.93 -45.49 71.26 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-O 118.485 -0.769 . . . . 0.0 112.348 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 27.0 p-90 -65.08 -35.08 80.02 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.299 0.954 . . . . 0.0 111.873 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.36 -53.02 61.07 Favored 'General case' 0 C--N 1.343 0.289 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 171.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.42 -39.97 89.33 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 122.929 0.492 . . . . 0.0 112.016 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -61.11 -47.68 85.16 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.288 1.035 . . . . 0.0 110.227 174.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.46 -42.93 93.15 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.569 0.748 . . . . 0.0 111.123 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -64.66 -47.26 79.13 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.287 1.035 . . . . 0.0 110.561 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -56.61 -46.67 80.77 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.433 0.693 . . . . 0.0 110.328 173.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.67 -64.56 4.18 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.061 0 O-C-N 122.481 -0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.043 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -68.83 78.0 0.31 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.681 1.192 . . . . 0.0 110.686 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.77 59.65 4.33 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.686 1.195 . . . . 0.0 108.883 172.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.09 70.9 0.04 OUTLIER Glycine 0 CA--C 1.529 0.946 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 -172.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -75.32 75.89 3.7 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 124.029 3.152 . . . . 0.0 108.468 177.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -129.76 -42.51 1.27 Allowed 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 125.264 1.425 . . . . 0.0 110.835 -169.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -54.58 -42.31 70.89 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.924 0.783 . . . . 0.0 112.056 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 26.9 p-90 -57.02 -41.09 77.92 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.317 0.508 . . . . 0.0 111.638 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.28 -47.56 64.21 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.957 0.903 . . . . 0.0 111.636 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.72 97.19 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.438 0.563 . . . . 0.0 111.225 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -59.42 -42.79 92.64 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.906 0.882 . . . . 0.0 110.564 172.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -57.83 -47.74 81.79 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.088 0.555 . . . . 0.0 110.177 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -55.64 -46.85 77.37 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.324 1.05 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -61.04 -48.33 82.27 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.508 0.723 . . . . 0.0 110.439 174.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 174.65 -69.88 0.09 OUTLIER Glycine 0 CA--C 1.527 0.843 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.031 0 O-C-N 122.261 -0.552 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.037 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -66.21 139.43 58.1 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.44 0.696 . . . . 0.0 109.778 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.99 73.19 2.17 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.672 0.789 . . . . 0.0 109.115 173.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -36.93 -72.01 0.17 Allowed Glycine 0 CA--C 1.529 0.913 0 C-N-CA 127.023 2.249 . . . . 0.0 114.82 -169.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -86.81 45.03 1.27 Allowed 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 124.051 3.167 . . . . 0.0 112.451 -169.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -160.46 -50.41 0.05 OUTLIER 'General case' 0 C--N 1.338 0.083 0 C-N-CA 123.718 0.807 . . . . 0.0 109.293 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -53.2 -40.65 64.59 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.679 1.192 . . . . 0.0 111.484 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -59.44 -41.66 90.14 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.849 0.86 . . . . 0.0 112.246 176.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.1 mt -66.85 -51.22 58.14 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 123.163 0.585 . . . . 0.0 109.963 178.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.18 -41.0 64.81 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.277 0.631 . . . . 0.0 111.675 177.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.74 -47.38 69.46 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.884 0.873 . . . . 0.0 112.342 175.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -30.32 70.43 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.947 0.794 . . . . 0.0 112.071 -174.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -60.2 -55.79 29.46 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.411 0.684 . . . . 0.0 111.038 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -69.56 -36.97 76.81 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.563 0.345 . . . . 0.0 111.462 -177.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.99 78.71 0.07 OUTLIER Glycine 0 C--N 1.34 0.763 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -178.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.111 0 O-C-N 122.501 -0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.043 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.0 ttt85 59.1 62.72 1.78 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.703 1.201 . . . . 0.0 110.146 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.04 148.87 51.37 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.416 0.686 . . . . 0.0 111.327 -175.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.64 62.88 5.64 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-O 119.063 -0.854 . . . . 0.0 111.583 -174.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -76.99 71.89 6.05 Favored 'Trans proline' 0 N--CA 1.454 -0.804 0 C-N-CA 123.733 2.955 . . . . 0.0 110.29 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 tp -148.25 -41.38 0.16 Allowed 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 125.613 1.565 . . . . 0.0 109.328 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -51.01 -49.84 59.68 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.235 1.014 . . . . 0.0 110.584 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.3 p-90 -73.31 -27.15 61.37 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.85 -47.37 72.15 Favored 'General case' 0 C--N 1.342 0.239 0 CA-C-N 118.799 0.727 . . . . 0.0 109.717 173.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.95 -42.22 84.46 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.544 0.738 . . . . 0.0 111.057 178.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -59.56 -52.64 64.67 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.09 0.556 . . . . 0.0 110.599 172.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -52.58 -49.66 64.55 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.683 1.193 . . . . 0.0 111.501 -177.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -58.59 -50.85 72.32 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.045 0.938 . . . . 0.0 111.358 -175.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -70.05 -36.46 75.01 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.397 0.679 . . . . 0.0 111.161 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.91 -66.41 3.77 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.083 0 O-C-N 122.44 -0.447 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_