data_1icy_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 1icy _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 ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.631 0 CA-C-O 121.701 0.762 . . . . 0.0 109.561 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -55.25 -16.88 3.69 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 123.264 1.506 . . . . 0.0 112.594 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -64.73 -47.55 77.87 Favored 'General case' 0 C--N 1.314 -0.954 0 O-C-N 119.981 -1.7 . . . . 0.0 109.515 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -26.28 68.47 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.619 1.199 . . . . 0.0 110.667 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.85 -50.96 71.76 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 121.468 -0.77 . . . . 0.0 111.468 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mt -54.61 -29.48 52.0 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 122.27 1.033 . . . . 0.0 109.848 175.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -44.91 95.0 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 117.564 -1.208 . . . . 0.0 111.85 174.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -54.2 -40.65 67.8 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.825 0.85 . . . . 0.0 110.76 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -63.5 -54.26 39.14 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 122.548 1.166 . . . . 0.0 110.474 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.0 mt -69.09 -12.13 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.097 0 CA-C-O 122.589 1.185 . . . . 0.0 109.309 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.45 -0.467 0 O-C-N 120.215 -1.553 . . . . 0.0 110.352 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.445 -0.693 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -63.57 -11.31 23.55 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -59.81 -50.63 73.07 Favored 'General case' 0 C--O 1.246 0.9 0 C-N-CA 125.493 1.517 . . . . 0.0 108.326 174.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -28.14 68.7 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 123.258 0.623 . . . . 0.0 110.195 -177.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.73 -49.97 72.95 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 121.344 -0.848 . . . . 0.0 109.277 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.52 -35.28 67.88 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -53.3 -50.43 64.94 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.235 176.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -53.35 -47.57 69.28 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -175.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -59.12 -52.91 63.69 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 124.013 0.925 . . . . 0.0 110.148 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.2 mt -59.96 -23.96 28.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 C-N-CA 123.299 0.639 . . . . 0.0 110.939 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 CA--C 1.54 0.578 0 C-N-CA 126.933 2.093 . . . . 0.0 112.862 177.198 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.237 0.435 0 CA-C-O 122.148 0.975 . . . . 0.0 109.563 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -60.36 -14.39 18.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 122.637 1.208 . . . . 0.0 112.108 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -63.75 -47.27 81.69 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 120.43 -1.419 . . . . 0.0 110.036 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.03 -22.9 52.06 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.656 0.741 . . . . 0.0 110.825 178.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.74 -55.97 14.51 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 120.44 -1.413 . . . . 0.0 110.0 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 mt -58.0 -26.85 62.91 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -40.37 96.54 Favored 'General case' 0 CA--C 1.507 -0.709 0 O-C-N 120.015 -1.678 . . . . 0.0 111.702 175.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -55.16 -42.13 72.72 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.185 0.902 . . . . 0.0 109.381 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -62.99 -48.64 77.95 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 122.063 0.935 . . . . 0.0 111.921 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.15 -12.48 16.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.065 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 CA--C 1.501 -0.919 0 C-N-CA 125.085 1.354 . . . . 0.0 110.408 178.418 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 . . . . . 0 CA--C 1.502 -0.873 0 CA-C-O 119.27 -0.395 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -62.18 -11.32 13.85 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 122.633 1.206 . . . . 0.0 114.1 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -57.38 -47.54 81.39 Favored 'General case' 0 C--N 1.311 -1.092 0 O-C-N 119.451 -2.031 . . . . 0.0 109.107 173.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.52 -24.48 63.7 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.514 -0.741 . . . . 0.0 110.841 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.31 -51.23 66.91 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.445 -0.785 . . . . 0.0 109.51 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mt -58.47 -27.59 64.55 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.622 0.725 . . . . 0.0 110.757 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -41.67 98.21 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 117.534 -1.222 . . . . 0.0 110.915 173.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -55.95 -44.33 78.35 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -176.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -53.55 -48.52 69.04 Favored 'General case' 0 C--N 1.31 -1.148 0 C-N-CA 125.447 1.499 . . . . 0.0 111.962 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.5 mt -77.79 -15.21 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 O-C-N 121.778 -0.576 . . . . 0.0 109.596 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.522 -0.1 0 C-N-CA 124.994 1.318 . . . . 0.0 111.278 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.604 0 CA-C-O 121.201 0.524 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -56.53 -16.67 6.42 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-O 122.564 1.173 . . . . 0.0 113.327 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -64.97 -45.58 85.08 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-O 122.51 1.148 . . . . 0.0 110.821 -177.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 p -55.25 -33.61 63.3 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.006 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.02 -57.56 12.53 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.256 1.027 . . . . 0.0 108.892 -176.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -26.3 62.92 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.856 0.836 . . . . 0.0 109.349 176.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -45.46 87.08 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 117.295 -1.336 . . . . 0.0 110.014 175.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -54.01 -43.1 69.8 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 119.078 0.854 . . . . 0.0 109.414 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -64.1 -47.27 80.67 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 123.128 0.571 . . . . 0.0 112.381 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.7 mt -75.66 -8.69 11.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 123.556 0.535 . . . . 0.0 109.746 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.513 -0.45 0 O-C-N 120.759 -1.213 . . . . 0.0 108.318 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 . . . . . 0 C--O 1.235 0.328 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -60.48 -13.77 15.64 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 123.833 1.778 . . . . 0.0 112.628 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -64.57 -46.72 81.56 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 120.124 -1.61 . . . . 0.0 110.318 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.09 -24.83 18.94 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.512 -0.875 . . . . 0.0 111.088 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.09 -58.14 8.95 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 118.823 -0.608 . . . . 0.0 109.439 177.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.84 -28.9 1.72 Allowed 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 122.783 1.278 . . . . 0.0 110.48 177.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -62.41 -54.94 32.96 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 120.523 -1.36 . . . . 0.0 109.773 176.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -53.44 -40.27 65.07 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 118.967 0.803 . . . . 0.0 109.025 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.05 -47.32 81.23 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 122.447 1.118 . . . . 0.0 112.325 173.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.8 mt -81.83 -11.06 12.33 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 C-N-CA 116.411 -2.116 . . . . 0.0 108.267 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.2 t30 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 119.525 -1.984 . . . . 0.0 109.792 -177.551 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? . . . . . 0 C--O 1.248 1.021 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -63.36 -13.02 34.76 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-O 124.178 1.942 . . . . 0.0 112.642 -174.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -58.38 -51.6 69.15 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 114.245 -1.343 . . . . 0.0 113.563 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.7 -24.68 58.02 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.762 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.77 -58.57 5.35 Favored 'General case' 0 N--CA 1.439 -0.983 0 O-C-N 121.603 -0.686 . . . . 0.0 110.902 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.18 -24.99 29.68 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.284 0.564 . . . . 0.0 109.762 177.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 mtt85 -63.5 -47.42 81.77 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.092 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -54.19 -44.79 71.86 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 118.586 0.63 . . . . 0.0 109.613 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -66.24 -45.59 80.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.969 0.89 . . . . 0.0 111.441 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.0 mt -69.49 -11.87 15.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 121.823 -0.548 . . . . 0.0 110.271 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 . . . . . 0 CA--C 1.517 -0.303 0 C-N-CA 123.926 0.891 . . . . 0.0 109.524 178.448 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 . . . . . 0 C--O 1.24 0.566 0 CA-C-O 122.243 1.021 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -66.28 -10.51 43.18 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.528 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.35 -49.35 74.65 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 123.356 1.55 . . . . 0.0 111.224 173.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -57.85 -25.29 60.5 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 113.758 -1.565 . . . . 0.0 109.409 -175.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.27 -56.63 19.13 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.011 -1.056 . . . . 0.0 110.417 176.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.33 -30.01 64.44 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.318 -0.864 . . . . 0.0 109.377 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.64 -39.45 91.37 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 121.3 -0.875 . . . . 0.0 111.068 176.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -54.87 -51.05 67.17 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 118.848 0.749 . . . . 0.0 110.321 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -57.78 -48.0 80.94 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.037 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.1 mt -68.31 -14.1 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 O-C-N 121.795 -0.566 . . . . 0.0 110.616 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 . . . . . 0 CA--C 1.52 -0.207 0 C-N-CA 125.348 1.459 . . . . 0.0 110.476 177.179 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.197 -1.671 0 CA-C-O 125.615 2.626 . . . . 0.0 107.316 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.498 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -66.73 -11.94 56.62 Favored 'General case' 0 C--N 1.391 2.373 0 CA-C-O 116.242 -1.837 . . . . 0.0 107.9 -173.071 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.1 -48.89 78.78 Favored 'General case' 0 C--O 1.202 -1.41 0 CA-C-O 126.211 2.91 . . . . 0.0 109.723 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.28 -31.87 45.91 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-N 113.542 -1.663 . . . . 0.0 110.362 178.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.46 -46.62 88.26 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 119.32 -2.112 . . . . 0.0 110.45 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.7 mt -62.68 -26.02 68.44 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.588 -0.695 . . . . 0.0 110.207 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -64.8 -37.37 87.39 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.353 -0.842 . . . . 0.0 110.866 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -53.93 -39.1 65.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 119.315 0.961 . . . . 0.0 110.05 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -60.76 -39.73 89.86 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 122.993 0.517 . . . . 0.0 111.062 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.6 mm -88.95 -10.04 10.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.797 0.808 . . . . 0.0 110.539 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 t30 . . . . . 0 N--CA 1.448 -0.567 0 C-N-CA 125.232 1.413 . . . . 0.0 109.194 175.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.242 0.693 0 CA-C-O 122.667 1.222 . . . . 0.0 109.169 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -58.93 -16.89 19.96 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 176.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -61.51 -52.28 65.13 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 124.761 1.224 . . . . 0.0 109.444 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -38.71 85.18 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.154 -0.967 . . . . 0.0 110.489 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.15 -51.84 68.27 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 119.127 -0.463 . . . . 0.0 110.945 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -26.64 65.14 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.734 1.254 . . . . 0.0 109.947 175.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -63.79 -31.5 72.7 Favored 'General case' 0 N--CA 1.44 -0.928 0 O-C-N 120.126 -1.609 . . . . 0.0 110.802 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -53.92 -34.5 59.77 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.77 0.714 . . . . 0.0 110.927 176.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -65.08 -61.22 2.27 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 122.369 1.08 . . . . 0.0 108.842 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.9 mt -60.54 -23.47 28.61 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 O-C-N 121.114 -0.991 . . . . 0.0 111.262 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 . . . . . 0 N--CA 1.451 -0.405 0 O-C-N 121.101 -0.999 . . . . 0.0 112.614 174.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 . . . . . 0 C--O 1.239 0.533 0 CA-C-O 121.658 0.742 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -56.85 -16.81 7.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.577 1.18 . . . . 0.0 112.989 176.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -65.5 -45.59 82.99 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 122.439 1.114 . . . . 0.0 109.248 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.7 t -60.67 -30.34 69.84 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 120.84 -1.162 . . . . 0.0 109.986 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.52 99.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 121.713 -0.617 . . . . 0.0 110.089 176.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -29.88 68.05 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 123.61 1.672 . . . . 0.0 109.661 176.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -40.05 93.58 Favored 'General case' 0 N--CA 1.444 -0.728 0 O-C-N 119.613 -1.93 . . . . 0.0 110.026 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -54.62 -40.52 68.99 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 123.616 0.572 . . . . 0.0 110.12 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.61 -48.97 67.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 122.01 0.91 . . . . 0.0 110.987 178.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.76 -18.24 21.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 120.599 -1.313 . . . . 0.0 109.996 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 O-C-N 120.735 -1.228 . . . . 0.0 112.689 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.439 -1.002 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -62.38 -17.53 59.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 123.773 1.749 . . . . 0.0 112.731 -178.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -48.8 -53.67 18.26 Favored 'General case' 0 C--N 1.312 -1.036 0 O-C-N 118.596 -2.565 . . . . 0.0 113.106 166.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t -59.51 -24.76 63.91 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -175.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.03 -51.58 60.78 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 122.424 0.289 . . . . 0.0 111.247 178.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mt -56.26 -24.48 43.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -45.44 90.84 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.874 175.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -57.27 -44.04 83.61 Favored 'General case' 0 C--O 1.226 -0.162 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -66.23 -47.08 74.96 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.98 0.895 . . . . 0.0 111.123 177.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.8 mt -67.05 -12.53 15.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 121.603 -0.686 . . . . 0.0 109.876 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 CA--C 1.513 -0.452 0 C-N-CA 124.339 1.056 . . . . 0.0 110.599 176.729 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.266 1.936 0 CA-C-O 125.755 2.693 . . . . 0.0 107.482 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -60.76 -14.58 22.27 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 118.132 -2.855 . . . . 0.0 113.981 -174.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -53.26 -54.11 41.06 Favored 'General case' 0 N--CA 1.416 -2.146 0 O-C-N 125.816 1.947 . . . . 0.0 109.411 171.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -30.33 62.08 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.317 -175.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.29 -52.5 61.26 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 121.897 0.855 . . . . 0.0 112.609 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mt -53.98 -27.03 28.92 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.864 177.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.07 -47.31 85.26 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 118.862 -0.589 . . . . 0.0 110.591 174.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -53.86 -43.09 69.24 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 118.391 0.541 . . . . 0.0 109.673 -177.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -62.73 -44.18 96.89 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.188 0.518 . . . . 0.0 110.719 176.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.6 mt -74.83 -11.02 14.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 O-C-N 121.694 -0.629 . . . . 0.0 110.105 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 N--CA 1.451 -0.407 0 C-N-CA 125.157 1.383 . . . . 0.0 109.324 179.017 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 . . . . . 0 C--O 1.247 0.961 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -64.35 -11.41 32.09 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 121.779 0.8 . . . . 0.0 112.299 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -57.41 -53.38 58.77 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 124.278 1.99 . . . . 0.0 109.853 174.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.0 -26.38 64.46 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 113.524 -1.671 . . . . 0.0 110.631 -175.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.76 -52.7 48.88 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.24 0.616 . . . . 0.0 111.136 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mt -51.55 -35.48 41.05 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 174.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -59.25 -57.78 11.5 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-O 117.773 -1.108 . . . . 0.0 110.137 174.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -54.12 -41.85 68.8 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 119.23 0.923 . . . . 0.0 108.652 -174.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -60.37 -36.41 77.98 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.4 mt -86.64 -19.91 7.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 O-C-N 120.099 -1.625 . . . . 0.0 110.855 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.504 -0.79 0 C-N-CA 126.502 1.921 . . . . 0.0 112.536 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.448 ' C ' ' NH1' ' A' ' 19' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.572 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -57.25 -15.65 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -40.86 94.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -22.53 67.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.025 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.73 -51.25 63.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.432 ' O ' ' CD1' ' A' ' 28' ' ' ILE . 0.9 OUTLIER -58.39 -20.99 48.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.66 -46.14 59.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -55.71 -44.68 77.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.623 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -68.85 -36.54 78.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.432 ' CD1' ' O ' ' A' ' 24' ' ' LEU . 29.4 mt -75.15 -11.95 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.643 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 m-30 -60.14 -15.92 27.96 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.8 -46.04 91.24 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 113.849 -1.523 . . . . 0.0 108.383 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.16 -29.25 30.38 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.323 -0.86 . . . . 0.0 112.036 179.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.8 -54.48 41.75 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.933 0.493 . . . . 0.0 110.64 177.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.2 mt -59.8 -32.72 70.89 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 122.015 0.912 . . . . 0.0 109.63 175.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -46.66 83.98 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 117.913 -1.041 . . . . 0.0 111.357 172.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -54.18 -46.58 72.39 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.845 1.202 . . . . 0.0 110.739 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -53.8 -42.24 68.16 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.417 0.687 . . . . 0.0 109.889 176.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.93 -10.33 11.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.739 0.815 . . . . 0.0 111.676 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.408 0 O-C-N 119.768 -1.832 . . . . 0.0 110.497 175.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 . . . . . 0 N--CA 1.431 -1.415 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -50.66 -15.33 0.26 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 124.489 2.09 . . . . 0.0 116.221 -178.146 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -46.94 86.17 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 111.632 -2.531 . . . . 0.0 109.769 177.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -56.28 -27.1 54.2 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -178.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.66 -54.66 24.55 Favored 'General case' 0 N--CA 1.442 -0.874 0 O-C-N 121.084 -1.01 . . . . 0.0 110.197 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.57 -26.74 65.66 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.37 -0.831 . . . . 0.0 110.421 176.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -66.35 -40.47 89.82 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-O 118.077 -0.963 . . . . 0.0 108.654 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -54.07 -51.24 64.75 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -66.86 -47.71 71.07 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 124.722 1.209 . . . . 0.0 110.542 -175.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -54.97 -24.5 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.108 176.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.223 -0.302 0 C-N-CA 124.71 1.204 . . . . 0.0 111.942 176.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.476 ' CG ' ' HD2' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.456 0 CA-C-O 117.363 -1.303 . . . . 0.0 110.645 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 1' ' ' TYR . 19.8 Cg_endo -76.92 -163.16 0.19 Allowed 'Trans proline' 0 CA--C 1.536 0.598 0 C-N-CA 124.145 3.23 . . . . 0.0 107.505 176.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t 71.27 -75.6 0.07 Allowed 'General case' 0 C--O 1.245 0.855 0 C-N-CA 125.533 1.533 . . . . 0.0 107.658 -175.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.9 mttp 163.46 -58.0 0.0 OUTLIER Pre-proline 0 N--CA 1.448 -0.533 0 C-N-CA 131.096 3.758 . . . . 0.0 111.541 -174.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -76.94 175.67 11.09 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 123.006 2.471 . . . . 0.0 108.64 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 t0 177.67 101.55 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 103.488 -2.782 . . . . 0.0 103.488 -175.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -167.81 155.2 7.96 Favored Pre-proline 0 CA--C 1.515 -0.377 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 173.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -74.68 -169.43 0.61 Allowed 'Trans proline' 0 N--CA 1.45 -1.048 0 C-N-CA 121.858 1.706 . . . . 0.0 109.84 177.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.2 166.94 0.62 Allowed Glycine 0 C--N 1.341 0.824 0 C-N-CA 127.554 2.502 . . . . 0.0 114.562 171.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -139.45 166.73 23.79 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 118.558 -1.257 . . . . 0.0 108.251 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -89.0 26.9 1.45 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.13 0.967 . . . . 0.0 110.959 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -170.5 70.68 0.57 Allowed Pre-proline 0 N--CA 1.44 -0.941 0 N-CA-C 104.559 -2.385 . . . . 0.0 104.559 -177.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -76.5 117.47 4.58 Favored 'Trans proline' 0 N--CA 1.445 -1.337 0 N-CA-C 105.597 -2.501 . . . . 0.0 105.597 174.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.47 56.6 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.515 1.526 . . . . 0.0 109.551 172.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -113.11 18.36 18.05 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.872 1.269 . . . . 0.0 111.56 178.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.46 -62.99 1.31 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 125.278 2.466 . . . . 0.0 109.555 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.9 mt -65.12 -23.5 67.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 112.279 -2.237 . . . . 0.0 110.79 178.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.29 93.84 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.164 -0.96 . . . . 0.0 112.354 174.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.79 -49.01 42.65 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 118.545 -1.262 . . . . 0.0 109.561 177.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -55.25 -16.88 3.69 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 123.264 1.506 . . . . 0.0 112.594 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -64.73 -47.55 77.87 Favored 'General case' 0 C--N 1.314 -0.954 0 O-C-N 119.981 -1.7 . . . . 0.0 109.515 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -26.28 68.47 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.619 1.199 . . . . 0.0 110.667 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.85 -50.96 71.76 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 121.468 -0.77 . . . . 0.0 111.468 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mt -54.61 -29.48 52.0 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 122.27 1.033 . . . . 0.0 109.848 175.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -44.91 95.0 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 117.564 -1.208 . . . . 0.0 111.85 174.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -54.2 -40.65 67.8 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.825 0.85 . . . . 0.0 110.76 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -63.5 -54.26 39.14 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 122.548 1.166 . . . . 0.0 110.474 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.0 mt -69.09 -12.13 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.097 0 CA-C-O 122.589 1.185 . . . . 0.0 109.309 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.4 -3.38 55.47 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.215 -1.553 . . . . 0.0 110.352 178.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.1 mt -73.37 -5.73 41.62 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 118.847 0.749 . . . . 0.0 112.342 172.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.17 160.54 16.43 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-O 118.415 -0.802 . . . . 0.0 109.32 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -78.86 57.76 6.56 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.715 2.944 . . . . 0.0 109.523 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 39.16 75.59 0.07 Allowed 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 125.163 1.385 . . . . 0.0 110.711 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.04 48.78 1.75 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.29 38.61 0.78 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.909 0.861 . . . . 0.0 110.415 -178.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -139.98 -54.53 0.54 Allowed 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 106.171 -1.789 . . . . 0.0 106.171 -174.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 O-C-N 123.384 0.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -75.52 65.38 6.51 Favored 'Trans proline' 0 CA--C 1.554 1.475 0 C-N-CA 121.785 1.656 . . . . 0.0 110.441 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.22 123.75 37.3 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 125.709 1.604 . . . . 0.0 108.303 174.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -148.42 66.21 9.04 Favored Pre-proline 0 N--CA 1.472 0.64 0 CA-C-N 120.371 1.441 . . . . 0.0 111.465 171.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -69.91 130.35 19.02 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.365 2.044 . . . . 0.0 110.429 -169.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -143.53 103.63 4.12 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 103.447 -2.797 . . . . 0.0 103.447 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -137.63 132.23 17.45 Favored Pre-proline 0 N--CA 1.484 1.248 0 C-N-CA 126.02 1.728 . . . . 0.0 110.468 171.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -72.03 121.0 7.2 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 122.048 1.832 . . . . 0.0 111.548 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.25 116.88 0.39 Allowed Glycine 0 CA--C 1.529 0.927 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 61.75 64.79 0.99 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.402 1.081 . . . . 0.0 111.771 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -167.17 -57.66 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 176.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -172.36 73.53 0.45 Allowed Pre-proline 0 CA--C 1.543 0.685 0 C-N-CA 127.075 2.15 . . . . 0.0 109.226 -176.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -71.82 144.77 44.31 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.112 1.875 . . . . 0.0 109.874 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.53 57.99 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.719 1.608 . . . . 0.0 109.242 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.51 13.75 4.27 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 177.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -54.12 -78.74 0.02 OUTLIER 'General case' 0 C--O 1.235 0.341 0 C-N-CA 125.683 1.593 . . . . 0.0 108.912 176.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 pp -63.86 -19.43 65.05 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.658 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.11 99.43 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 119.382 0.992 . . . . 0.0 111.054 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -52.18 59.19 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 176.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -63.57 -11.31 23.55 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -59.81 -50.63 73.07 Favored 'General case' 0 C--O 1.246 0.9 0 C-N-CA 125.493 1.517 . . . . 0.0 108.326 174.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -28.14 68.7 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 123.258 0.623 . . . . 0.0 110.195 -177.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.73 -49.97 72.95 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 121.344 -0.848 . . . . 0.0 109.277 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.52 -35.28 67.88 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -53.3 -50.43 64.94 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.235 176.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -53.35 -47.57 69.28 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -175.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -59.12 -52.91 63.69 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 124.013 0.925 . . . . 0.0 110.148 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.2 mt -59.96 -23.96 28.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 C-N-CA 123.299 0.639 . . . . 0.0 110.939 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -89.43 15.76 8.69 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.933 2.093 . . . . 0.0 112.862 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tt -153.05 32.23 0.48 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.72 1.608 . . . . 0.0 108.087 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.68 158.29 42.21 Favored Pre-proline 0 CA--C 1.548 0.873 0 O-C-N 119.711 -1.868 . . . . 0.0 111.383 174.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -68.24 78.54 0.61 Allowed 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 123.438 2.759 . . . . 0.0 109.389 -177.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 59.05 -88.99 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.404 1.882 . . . . 0.0 109.391 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.26 42.16 2.77 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.342 1.857 . . . . 0.0 108.215 -175.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 51.06 48.08 23.71 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.559 1.144 . . . . 0.0 110.568 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -167.25 -53.68 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -174.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 O-C-N 121.845 -0.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -76.15 110.46 3.07 Favored 'Trans proline' 0 N--CA 1.442 -1.506 0 N-CA-C 108.826 -1.259 . . . . 0.0 108.826 -176.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.08 136.91 49.87 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 178.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -114.91 86.48 13.44 Favored Pre-proline 0 C--O 1.22 -0.451 0 CA-C-O 117.674 -1.155 . . . . 0.0 109.927 175.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -72.18 -173.21 1.03 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.868 2.379 . . . . 0.0 107.976 -177.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 77.3 140.86 0.07 Allowed 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 174.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -113.91 86.34 11.0 Favored Pre-proline 0 N--CA 1.467 0.376 0 CA-C-O 116.895 -1.526 . . . . 0.0 109.247 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -74.44 -160.57 0.1 Allowed 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 122.81 2.34 . . . . 0.0 109.68 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 145.9 71.52 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 108.065 -2.014 . . . . 0.0 108.065 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -177.84 140.08 0.24 Allowed 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 t70 60.95 84.29 0.13 Allowed 'General case' 0 C--O 1.222 -0.357 0 O-C-N 125.946 2.029 . . . . 0.0 108.479 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 58.3 82.51 0.23 Allowed Pre-proline 0 CA--C 1.552 1.029 0 CA-C-O 122.622 1.201 . . . . 0.0 112.079 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -70.26 117.82 5.33 Favored 'Trans proline' 0 N--CA 1.445 -1.371 0 N-CA-C 108.957 -1.209 . . . . 0.0 108.957 -177.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.65 -32.23 36.23 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 120.242 -1.536 . . . . 0.0 109.579 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -92.48 23.04 4.18 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 120.969 -1.082 . . . . 0.0 110.492 175.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -58.84 -39.16 80.47 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 119.647 -1.908 . . . . 0.0 109.916 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.95 -23.27 67.17 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 114.322 -1.308 . . . . 0.0 111.151 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.05 -44.57 95.49 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 124.587 1.155 . . . . 0.0 110.043 175.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.98 -47.0 64.0 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 122.148 0.975 . . . . 0.0 109.563 178.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -60.36 -14.39 18.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 122.637 1.208 . . . . 0.0 112.108 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -63.75 -47.27 81.69 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 120.43 -1.419 . . . . 0.0 110.036 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.03 -22.9 52.06 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.656 0.741 . . . . 0.0 110.825 178.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.74 -55.97 14.51 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 120.44 -1.413 . . . . 0.0 110.0 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 mt -58.0 -26.85 62.91 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -40.37 96.54 Favored 'General case' 0 CA--C 1.507 -0.709 0 O-C-N 120.015 -1.678 . . . . 0.0 111.702 175.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -55.16 -42.13 72.72 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.185 0.902 . . . . 0.0 109.381 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -62.99 -48.64 77.95 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 122.063 0.935 . . . . 0.0 111.921 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.15 -12.48 16.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.065 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -101.44 21.06 14.82 Favored 'General case' 0 CA--C 1.501 -0.919 0 C-N-CA 125.085 1.354 . . . . 0.0 110.408 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.6 tt -153.96 20.62 0.51 Allowed 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.85 -53.71 48.23 Favored Pre-proline 0 CA--C 1.553 1.058 0 O-C-N 121.51 -0.744 . . . . 0.0 111.424 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -78.02 106.08 2.11 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 121.615 1.543 . . . . 0.0 108.872 -177.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.55 87.53 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 64.21 66.98 0.61 Allowed 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 176.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -94.9 -8.5 36.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 118.911 -0.566 . . . . 0.0 111.197 175.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -158.9 128.46 5.62 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 -172.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.719 0 O-C-N 122.059 -0.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 117.438 -1.268 . . . . 0.0 109.4 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -76.74 -175.49 2.64 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.939 2.426 . . . . 0.0 109.722 171.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t 70.66 162.23 0.24 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -176.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -177.34 85.1 0.25 Allowed Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 125.555 1.542 . . . . 0.0 107.68 173.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -77.55 170.24 19.6 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.242 1.962 . . . . 0.0 109.897 175.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.03 123.71 23.39 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 -177.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -134.87 149.54 70.84 Favored Pre-proline 0 N--CA 1.48 1.07 0 CA-C-N 120.594 1.543 . . . . 0.0 109.303 168.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -74.57 175.61 10.84 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 122.165 1.91 . . . . 0.0 109.556 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.34 89.28 0.88 Allowed Glycine 0 CA--C 1.536 1.403 0 O-C-N 120.912 -1.118 . . . . 0.0 114.093 -171.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -171.18 51.74 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.76 1.224 . . . . 0.0 114.073 -165.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 172.41 -89.82 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 -172.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.86 -50.32 88.79 Favored Pre-proline 0 N--CA 1.45 -0.441 0 C-N-CA 125.699 1.6 . . . . 0.0 112.292 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -80.69 115.84 3.14 Favored 'Trans proline' 0 N--CA 1.446 -1.309 0 C-N-CA 121.194 1.263 . . . . 0.0 108.991 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.51 61.9 0.49 Allowed 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.243 1.417 . . . . 0.0 108.581 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.15 19.8 2.54 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.913 -1.117 . . . . 0.0 112.286 176.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -54.84 -59.86 4.15 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 124.922 1.289 . . . . 0.0 107.77 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.6 mt -61.28 -30.2 70.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.236 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.85 93.84 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 124.129 0.971 . . . . 0.0 110.819 176.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -64.17 -54.79 28.07 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 118.954 -1.098 . . . . 0.0 110.544 170.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -62.18 -11.32 13.85 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 122.633 1.206 . . . . 0.0 114.1 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -57.38 -47.54 81.39 Favored 'General case' 0 C--N 1.311 -1.092 0 O-C-N 119.451 -2.031 . . . . 0.0 109.107 173.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.52 -24.48 63.7 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.514 -0.741 . . . . 0.0 110.841 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.31 -51.23 66.91 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.445 -0.785 . . . . 0.0 109.51 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mt -58.47 -27.59 64.55 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.622 0.725 . . . . 0.0 110.757 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -41.67 98.21 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 117.534 -1.222 . . . . 0.0 110.915 173.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -55.95 -44.33 78.35 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -176.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -53.55 -48.52 69.04 Favored 'General case' 0 C--N 1.31 -1.148 0 C-N-CA 125.447 1.499 . . . . 0.0 111.962 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.5 mt -77.79 -15.21 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 O-C-N 121.778 -0.576 . . . . 0.0 109.596 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.52 -12.96 61.29 Favored 'General case' 0 CA--C 1.522 -0.1 0 C-N-CA 124.994 1.318 . . . . 0.0 111.278 178.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.34 -5.12 12.98 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 119.575 -0.25 . . . . 0.0 111.123 174.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -163.86 151.18 10.54 Favored Pre-proline 0 CA--C 1.536 0.439 0 O-C-N 120.938 -1.101 . . . . 0.0 110.273 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -69.77 91.89 0.52 Allowed 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.458 2.105 . . . . 0.0 109.143 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 42.59 70.79 0.26 Allowed 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 125.225 1.41 . . . . 0.0 111.012 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.3 pm0 45.37 26.95 0.32 Allowed 'General case' 0 CA--C 1.555 1.158 0 O-C-N 120.548 -1.345 . . . . 0.0 114.309 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 54.04 41.35 32.06 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.544 1.138 . . . . 0.0 113.501 -170.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -167.92 176.21 6.34 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.467 -0.771 . . . . 0.0 111.265 -172.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.128 0 O-C-N 120.487 -1.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 116.766 -1.588 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -75.35 -35.43 2.9 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 123.207 2.605 . . . . 0.0 112.001 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.97 156.82 0.32 Allowed 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 124.738 1.274 . . . . 0.0 110.803 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 176.98 -65.45 0.0 OUTLIER Pre-proline 0 N--CA 1.429 -1.495 0 O-C-N 125.359 1.662 . . . . 0.0 107.81 -176.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -68.67 161.51 45.01 Favored 'Trans proline' 0 C--O 1.218 -0.496 0 O-C-N 124.277 1.672 . . . . 0.0 110.591 -176.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.1 t70 178.53 145.28 0.13 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -170.1 150.01 3.49 Favored Pre-proline 0 CA--C 1.507 -0.681 0 O-C-N 121.36 -0.838 . . . . 0.0 108.895 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -76.49 -56.57 0.05 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.516 2.144 . . . . 0.0 111.322 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.3 151.91 23.97 Favored Glycine 0 N--CA 1.436 -1.34 0 N-CA-C 108.236 -1.945 . . . . 0.0 108.236 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.69 -175.32 4.98 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 117.89 0.845 . . . . 0.0 109.13 177.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.95 22.88 5.29 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.57 1.148 . . . . 0.0 110.515 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -170.77 67.24 0.49 Allowed Pre-proline 0 C--O 1.217 -0.651 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -76.42 149.58 31.24 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 122.425 2.083 . . . . 0.0 111.798 178.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.0 61.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -87.09 18.17 3.78 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 120.969 -1.082 . . . . 0.0 110.146 175.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.98 -57.63 8.09 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 121.11 -0.994 . . . . 0.0 108.695 176.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mt -67.66 -23.12 65.29 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.877 -0.514 . . . . 0.0 110.016 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.55 -43.6 93.46 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 122.909 1.338 . . . . 0.0 108.823 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -47.98 64.93 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 119.418 -2.051 . . . . 0.0 111.139 178.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -56.53 -16.67 6.42 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-O 122.564 1.173 . . . . 0.0 113.327 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -64.97 -45.58 85.08 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-O 122.51 1.148 . . . . 0.0 110.821 -177.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 p -55.25 -33.61 63.3 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.006 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.02 -57.56 12.53 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.256 1.027 . . . . 0.0 108.892 -176.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -26.3 62.92 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.856 0.836 . . . . 0.0 109.349 176.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -45.46 87.08 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 117.295 -1.336 . . . . 0.0 110.014 175.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -54.01 -43.1 69.8 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 119.078 0.854 . . . . 0.0 109.414 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -64.1 -47.27 80.67 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 123.128 0.571 . . . . 0.0 112.381 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.7 mt -75.66 -8.69 11.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 123.556 0.535 . . . . 0.0 109.746 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.61 -7.67 59.64 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 120.759 -1.213 . . . . 0.0 108.318 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.11 -2.67 22.37 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -165.64 158.39 13.11 Favored Pre-proline 0 N--CA 1.446 -0.632 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -75.17 123.13 7.57 Favored 'Trans proline' 0 CA--C 1.506 -0.877 1 C-N-CA 125.845 4.363 . . . . 0.0 111.608 176.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.16 81.13 1.78 Allowed 'General case' 0 N--CA 1.438 -1.034 0 O-C-N 121.254 -0.904 . . . . 0.0 109.068 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -169.55 77.01 0.1 Allowed 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 174.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -123.44 54.11 1.3 Allowed 'General case' 0 C--O 1.222 -0.391 0 CA-C-O 117.855 -1.069 . . . . 0.0 109.789 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.9 t80 57.92 82.54 0.13 Allowed 'General case' 0 N--CA 1.424 -1.739 0 CA-C-O 124.947 2.308 . . . . 0.0 113.609 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.071 0 O-C-N 117.766 -3.084 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.21 -1.016 0 CA-C-O 116.273 -1.822 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -74.3 169.3 22.8 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 C-N-CA 121.662 1.575 . . . . 0.0 108.615 -176.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -149.9 108.85 3.88 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.37 73.14 8.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 172.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -76.56 58.27 5.8 Favored 'Trans proline' 0 N--CA 1.449 -1.119 0 C-N-CA 122.576 2.184 . . . . 0.0 110.794 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -105.9 -59.88 1.71 Allowed 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 53.47 82.79 0.24 Allowed Pre-proline 0 N--CA 1.474 0.739 0 CA-C-O 122.16 0.981 . . . . 0.0 113.516 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -71.44 163.36 39.31 Favored 'Trans proline' 0 N--CA 1.445 -1.329 0 O-C-N 119.497 -0.844 . . . . 0.0 110.12 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.18 95.26 1.92 Allowed Glycine 0 C--O 1.227 -0.339 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -171.05 51.91 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.91 85.98 0.07 Allowed 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.662 0.744 . . . . 0.0 110.735 177.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 48.36 67.69 4.25 Favored Pre-proline 0 CA--C 1.551 1.009 0 O-C-N 120.707 -1.245 . . . . 0.0 111.871 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -71.42 173.57 12.21 Favored 'Trans proline' 0 N--CA 1.445 -1.348 0 CA-C-O 122.244 0.852 . . . . 0.0 110.055 -175.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.75 -19.69 61.99 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.31 -0.869 . . . . 0.0 111.181 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.99 20.39 1.88 Allowed 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.73 0.812 . . . . 0.0 111.133 176.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -57.02 -56.37 22.67 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 123.551 1.643 . . . . 0.0 107.912 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.4 mt -64.82 -21.24 66.74 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.272 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.68 -44.72 95.54 Favored 'General case' 0 CA--C 1.52 -0.179 0 O-C-N 121.122 -0.986 . . . . 0.0 111.008 175.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -68.06 -47.82 67.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.416 -0.803 . . . . 0.0 110.36 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -60.48 -13.77 15.64 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 123.833 1.778 . . . . 0.0 112.628 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -64.57 -46.72 81.56 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 120.124 -1.61 . . . . 0.0 110.318 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.09 -24.83 18.94 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.512 -0.875 . . . . 0.0 111.088 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.09 -58.14 8.95 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 118.823 -0.608 . . . . 0.0 109.439 177.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.84 -28.9 1.72 Allowed 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 122.783 1.278 . . . . 0.0 110.48 177.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -62.41 -54.94 32.96 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 120.523 -1.36 . . . . 0.0 109.773 176.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -53.44 -40.27 65.07 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 118.967 0.803 . . . . 0.0 109.025 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.05 -47.32 81.23 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 122.447 1.118 . . . . 0.0 112.325 173.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.8 mt -81.83 -11.06 12.33 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 C-N-CA 116.411 -2.116 . . . . 0.0 108.267 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -93.01 -1.96 56.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 119.525 -1.984 . . . . 0.0 109.792 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.05 1.32 18.32 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.419 0.688 . . . . 0.0 109.902 177.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.63 168.19 0.66 Allowed Pre-proline 0 N--CA 1.447 -0.582 0 O-C-N 121.705 -0.622 . . . . 0.0 109.905 177.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -74.53 66.24 5.58 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 121.85 1.7 . . . . 0.0 110.706 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.87 174.9 9.52 Favored 'General case' 0 N--CA 1.441 -0.918 0 O-C-N 120.28 -1.512 . . . . 0.0 109.959 177.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -144.22 64.87 1.3 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 176.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 3.0 ptm180 -118.23 63.56 0.76 Allowed 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 176.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -176.58 119.3 0.13 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 102.936 -2.987 . . . . 0.0 102.936 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.718 0 O-C-N 122.078 -0.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 6.2 p90 . . . . . 0 N--CA 1.47 0.573 0 CA-C-O 117.613 -1.184 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -78.19 -54.37 0.05 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.316 2.011 . . . . 0.0 110.608 176.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.23 121.35 1.68 Allowed 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 116.838 -1.553 . . . . 0.0 107.941 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 171.99 88.37 0.04 OUTLIER Pre-proline 0 C--O 1.22 -0.478 0 O-C-N 125.524 1.765 . . . . 0.0 108.503 179.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -75.36 170.42 20.35 Favored 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 122.107 1.871 . . . . 0.0 109.974 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.02 -62.13 1.79 Allowed 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 -179.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 164.15 -56.38 0.0 OUTLIER Pre-proline 0 C--O 1.213 -0.857 0 CA-C-O 115.966 -1.969 . . . . 0.0 106.031 -171.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -75.3 165.26 31.22 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.437 2.091 . . . . 0.0 109.872 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.37 -156.47 27.28 Favored Glycine 0 CA--C 1.521 0.412 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 59.64 72.15 0.54 Allowed 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 122.249 1.023 . . . . 0.0 109.481 176.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -175.33 98.1 0.08 Allowed 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 37.47 61.85 3.79 Favored Pre-proline 0 CA--C 1.549 0.935 0 CA-C-O 121.804 0.812 . . . . 0.0 112.055 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -75.34 142.96 27.47 Favored 'Trans proline' 0 N--CA 1.441 -1.588 0 C-N-CA 121.169 1.246 . . . . 0.0 108.89 -175.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -176.52 63.68 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -176.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -147.48 23.7 1.13 Allowed 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 121.651 -0.656 . . . . 0.0 110.896 172.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 176.73 -40.49 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 176.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mt -73.55 -32.4 64.16 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.42 -51.59 55.38 Favored 'General case' 0 CA--C 1.52 -0.18 0 O-C-N 121.737 -0.602 . . . . 0.0 110.691 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? -63.53 -46.24 86.91 Favored 'General case' 0 C--O 1.248 1.021 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 176.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -63.36 -13.02 34.76 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-O 124.178 1.942 . . . . 0.0 112.642 -174.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -58.38 -51.6 69.15 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 114.245 -1.343 . . . . 0.0 113.563 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.7 -24.68 58.02 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.762 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.77 -58.57 5.35 Favored 'General case' 0 N--CA 1.439 -0.983 0 O-C-N 121.603 -0.686 . . . . 0.0 110.902 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.18 -24.99 29.68 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.284 0.564 . . . . 0.0 109.762 177.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 mtt85 -63.5 -47.42 81.77 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.092 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -54.19 -44.79 71.86 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 118.586 0.63 . . . . 0.0 109.613 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -66.24 -45.59 80.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.969 0.89 . . . . 0.0 111.441 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.0 mt -69.49 -11.87 15.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 121.823 -0.548 . . . . 0.0 110.271 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -101.48 23.64 10.82 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 123.926 0.891 . . . . 0.0 109.524 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.96 35.31 0.39 Allowed 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -171.32 155.17 4.15 Favored Pre-proline 0 N--CA 1.447 -0.589 0 O-C-N 121.594 -0.692 . . . . 0.0 109.391 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -74.97 121.2 6.44 Favored 'Trans proline' 0 N--CA 1.441 -1.572 0 N-CA-C 107.197 -1.886 . . . . 0.0 107.197 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 69.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.319 1.048 . . . . 0.0 110.037 177.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.17 54.27 1.46 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 -177.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.5 mtp85 -76.76 2.51 14.17 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 118.434 -1.306 . . . . 0.0 113.457 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -118.07 20.74 13.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 123.322 1.534 . . . . 0.0 109.313 -170.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.84 0 O-C-N 120.327 -1.483 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.498 ' CZ ' ' HB3' ' A' ' 3' ' ' SER . 1.2 p90 . . . . . 0 CA--C 1.541 0.601 0 CA-C-O 116.216 -1.85 . . . . 0.0 107.462 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -79.59 103.38 1.59 Allowed 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 124.663 3.575 . . . . 0.0 112.272 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 1' ' ' TYR . 8.5 p -109.11 143.24 38.73 Favored 'General case' 0 CA--C 1.508 -0.641 0 O-C-N 120.774 -1.204 . . . . 0.0 108.133 -178.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.06 152.46 21.53 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-O 118.382 -0.818 . . . . 0.0 112.693 175.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -70.16 161.65 45.2 Favored 'Trans proline' 0 N--CA 1.44 -1.666 0 C-N-CA 123.258 2.639 . . . . 0.0 109.212 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -107.54 -59.0 1.89 Allowed 'General case' 0 N--CA 1.432 -1.334 0 CA-C-N 113.223 -1.808 . . . . 0.0 108.83 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -35.91 100.06 0.19 Allowed Pre-proline 0 N--CA 1.465 0.308 0 C-N-CA 127.082 2.153 . . . . 0.0 109.505 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -78.76 72.19 6.56 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 121.901 1.734 . . . . 0.0 109.776 -175.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.18 152.85 24.05 Favored Glycine 0 N--CA 1.432 -1.585 0 N-CA-C 107.16 -2.376 . . . . 0.0 107.16 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 59.77 175.12 0.08 Allowed 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.778 1.231 . . . . 0.0 108.682 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 t0 78.52 -62.63 0.33 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.18 -0.918 . . . . 0.0 108.534 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.66 75.19 0.38 Allowed Pre-proline 0 N--CA 1.434 -1.273 0 C-N-CA 127.988 2.515 . . . . 0.0 109.089 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -73.1 152.37 50.9 Favored 'Trans proline' 0 N--CA 1.444 -1.436 0 C-N-CA 121.806 1.671 . . . . 0.0 108.563 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 70.55 48.47 0.45 Allowed 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -135.45 19.87 3.36 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.921 0.867 . . . . 0.0 113.19 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.15 -71.12 0.19 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 124.333 2.016 . . . . 0.0 109.889 -177.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.56 -15.11 63.17 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 113.197 -1.819 . . . . 0.0 111.404 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.01 97.43 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.167 0.987 . . . . 0.0 110.163 177.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -68.8 -48.72 62.88 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 122.243 1.021 . . . . 0.0 109.735 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -66.28 -10.51 43.18 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.528 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.35 -49.35 74.65 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 123.356 1.55 . . . . 0.0 111.224 173.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -57.85 -25.29 60.5 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 113.758 -1.565 . . . . 0.0 109.409 -175.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.27 -56.63 19.13 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.011 -1.056 . . . . 0.0 110.417 176.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.33 -30.01 64.44 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.318 -0.864 . . . . 0.0 109.377 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.64 -39.45 91.37 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 121.3 -0.875 . . . . 0.0 111.068 176.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -54.87 -51.05 67.17 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 118.848 0.749 . . . . 0.0 110.321 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -57.78 -48.0 80.94 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.037 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.1 mt -68.31 -14.1 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 O-C-N 121.795 -0.566 . . . . 0.0 110.616 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -97.05 12.84 31.14 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 125.348 1.459 . . . . 0.0 110.476 177.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 tt -154.67 47.17 0.56 Allowed 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.467 ' CB ' ' CD ' ' A' ' 32' ' ' PRO . . . -61.1 178.86 0.25 Allowed Pre-proline 0 N--CA 1.444 -0.752 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.853 174.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 31' ' ' ALA . 27.0 Cg_endo -71.47 -164.26 0.15 Allowed 'Trans proline' 0 N--CA 1.442 -1.522 0 C-N-CA 121.536 1.491 . . . . 0.0 110.173 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.22 123.32 49.27 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 124.07 0.948 . . . . 0.0 110.089 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 44.98 33.72 1.09 Allowed 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 123.846 0.858 . . . . 0.0 110.879 -178.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 41.08 51.0 3.31 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 118.789 0.722 . . . . 0.0 110.782 -173.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.5 t80 177.84 -72.86 0.01 OUTLIER 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.751 0 O-C-N 120.6 -1.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 117.635 -1.174 . . . . 0.0 109.71 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -72.09 89.49 0.78 Allowed 'Trans proline' 0 N--CA 1.441 -1.596 0 C-N-CA 124.336 3.358 . . . . 0.0 108.266 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -124.53 -53.17 1.69 Allowed 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 123.769 0.828 . . . . 0.0 109.263 175.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.98 94.09 0.05 OUTLIER Pre-proline 0 CA--C 1.547 0.865 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 -175.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -78.49 -176.44 3.27 Favored 'Trans proline' 0 N--CA 1.441 -1.618 0 C-N-CA 121.502 1.468 . . . . 0.0 109.372 174.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 63.19 108.33 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 124.929 1.393 . . . . 0.0 110.492 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -113.16 129.65 24.35 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.684 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -71.29 131.57 19.34 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 122.555 2.17 . . . . 0.0 110.917 175.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.97 150.83 23.16 Favored Glycine 0 CA--C 1.533 1.176 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 176.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -117.56 164.17 15.33 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.9 0.88 . . . . 0.0 109.07 176.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -34.38 -44.17 0.18 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.328 1.451 . . . . 0.0 111.296 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 178.81 91.02 0.17 Allowed Pre-proline 0 CA--C 1.538 0.492 0 C-N-CA 124.844 1.258 . . . . 0.0 109.367 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -73.11 -178.82 3.81 Favored 'Trans proline' 0 N--CA 1.44 -1.65 0 C-N-CA 122.142 1.895 . . . . 0.0 112.903 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.51 87.78 Favored 'General case' 0 CA--C 1.529 0.144 0 O-C-N 120.77 -1.206 . . . . 0.0 110.678 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.7 17.8 3.76 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.194 175.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -45.8 -49.57 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 119.612 1.096 . . . . 0.0 109.994 175.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.403 ' HA ' ' CE2' ' A' ' 20' ' ' TYR . 61.6 mt -73.12 -47.21 46.13 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.106 -177.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.25 -21.52 9.34 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 122.983 0.513 . . . . 0.0 111.543 176.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -67.78 0.41 Allowed 'General case' 0 C--O 1.197 -1.671 0 CA-C-O 125.615 2.626 . . . . 0.0 107.316 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.498 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -66.73 -11.94 56.62 Favored 'General case' 0 C--N 1.391 2.373 0 CA-C-O 116.242 -1.837 . . . . 0.0 107.9 -173.071 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.1 -48.89 78.78 Favored 'General case' 0 C--O 1.202 -1.41 0 CA-C-O 126.211 2.91 . . . . 0.0 109.723 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.28 -31.87 45.91 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-N 113.542 -1.663 . . . . 0.0 110.362 178.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.46 -46.62 88.26 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 119.32 -2.112 . . . . 0.0 110.45 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.7 mt -62.68 -26.02 68.44 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.588 -0.695 . . . . 0.0 110.207 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -64.8 -37.37 87.39 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.353 -0.842 . . . . 0.0 110.866 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -53.93 -39.1 65.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 119.315 0.961 . . . . 0.0 110.05 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -60.76 -39.73 89.86 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 122.993 0.517 . . . . 0.0 111.062 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.6 mm -88.95 -10.04 10.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.797 0.808 . . . . 0.0 110.539 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -83.25 -2.77 56.43 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.232 1.413 . . . . 0.0 109.194 175.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.0 mt -74.83 1.63 12.14 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 172.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.51 157.36 5.12 Favored Pre-proline 0 CA--C 1.546 0.82 0 O-C-N 119.918 -1.739 . . . . 0.0 111.251 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -80.15 63.17 8.72 Favored 'Trans proline' 0 N--CA 1.442 -1.532 0 C-N-CA 123.724 2.95 . . . . 0.0 107.374 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -149.96 168.52 23.59 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.278 1.031 . . . . 0.0 108.808 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -129.81 46.32 2.66 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 121.075 0.464 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -103.59 54.88 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 120.952 -1.092 . . . . 0.0 108.356 -177.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -150.32 -50.39 0.13 Allowed 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.149 -0.478 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.209 -1.044 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -79.08 107.42 2.22 Favored 'Trans proline' 0 N--CA 1.44 -1.647 0 N-CA-C 107.398 -1.809 . . . . 0.0 107.398 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.26 141.3 30.53 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.409 -0.805 . . . . 0.0 109.422 173.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.12 68.97 81.69 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 118.78 0.718 . . . . 0.0 109.819 171.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -69.96 164.3 35.23 Favored 'Trans proline' 0 N--CA 1.449 -1.14 0 C-N-CA 121.133 1.222 . . . . 0.0 109.139 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -124.91 143.8 50.67 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.238 1.815 . . . . 0.0 107.905 177.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -174.19 91.24 0.33 Allowed Pre-proline 0 CA--C 1.531 0.227 0 C-N-CA 123.953 0.901 . . . . 0.0 109.781 174.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -70.7 154.99 63.69 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.54 2.16 . . . . 0.0 110.244 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.1 132.81 11.07 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 175.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -159.67 93.34 1.09 Allowed 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 117.84 -1.076 . . . . 0.0 110.889 165.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 50.6 t0 37.86 68.87 0.27 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.638 1.575 . . . . 0.0 114.467 176.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -179.48 -57.48 0.0 OUTLIER Pre-proline 0 C--O 1.214 -0.789 0 O-C-N 121.293 -0.879 . . . . 0.0 108.763 -167.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -82.59 179.11 5.6 Favored 'Trans proline' 0 CA--C 1.533 0.475 0 C-N-CA 122.148 1.898 . . . . 0.0 111.363 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.85 61.5 0.07 Allowed 'General case' 0 N--CA 1.441 -0.875 0 CA-C-O 122.461 1.124 . . . . 0.0 108.084 -175.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -88.73 25.82 1.66 Allowed 'General case' 0 C--N 1.33 -0.251 0 O-C-N 120.518 -1.364 . . . . 0.0 111.484 172.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.35 -53.17 58.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 120.658 -1.276 . . . . 0.0 109.059 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.81 -24.48 65.86 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.086 176.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.88 99.93 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.724 -0.61 . . . . 0.0 111.366 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.34 -46.18 64.66 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 122.667 1.222 . . . . 0.0 109.169 177.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -58.93 -16.89 19.96 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 176.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -61.51 -52.28 65.13 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 124.761 1.224 . . . . 0.0 109.444 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -38.71 85.18 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.154 -0.967 . . . . 0.0 110.489 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.15 -51.84 68.27 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 119.127 -0.463 . . . . 0.0 110.945 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -26.64 65.14 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.734 1.254 . . . . 0.0 109.947 175.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -63.79 -31.5 72.7 Favored 'General case' 0 N--CA 1.44 -0.928 0 O-C-N 120.126 -1.609 . . . . 0.0 110.802 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -53.92 -34.5 59.77 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.77 0.714 . . . . 0.0 110.927 176.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -65.08 -61.22 2.27 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 122.369 1.08 . . . . 0.0 108.842 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.9 mt -60.54 -23.47 28.61 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 O-C-N 121.114 -0.991 . . . . 0.0 111.262 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -71.12 -17.99 62.54 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 121.101 -0.999 . . . . 0.0 112.614 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 tp -67.95 -3.86 11.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.452 -0.78 . . . . 0.0 111.726 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -163.43 85.56 1.32 Allowed Pre-proline 0 N--CA 1.449 -0.509 0 O-C-N 120.875 -1.14 . . . . 0.0 109.731 176.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.12 116.74 3.77 Favored 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 122.184 1.923 . . . . 0.0 107.653 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.44 100.99 0.9 Allowed 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 172.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.48 79.01 0.05 OUTLIER 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 122.961 0.504 . . . . 0.0 109.772 172.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -136.48 66.6 1.48 Allowed 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -171.98 -49.36 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.035 0 CA-C-N 117.757 0.253 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 . . . . . 0 CA--C 1.502 -0.889 0 CA-C-O 115.142 -2.361 . . . . 0.0 107.563 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -78.22 -1.06 11.25 Favored 'Trans proline' 0 N--CA 1.442 -1.53 0 O-C-N 126.494 2.839 . . . . 0.0 112.213 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.62 123.96 28.94 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 106.182 -1.785 . . . . 0.0 106.182 177.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -172.52 158.74 3.9 Favored Pre-proline 0 N--CA 1.45 -0.471 0 C-N-CA 124.351 1.061 . . . . 0.0 109.278 177.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -76.42 176.24 10.32 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 122.943 2.429 . . . . 0.0 109.829 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.09 100.55 2.93 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 -177.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 160.63 -54.9 0.0 OUTLIER Pre-proline 0 C--O 1.222 -0.363 0 C-N-CA 124.635 1.174 . . . . 0.0 108.44 -175.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -77.36 163.99 29.36 Favored 'Trans proline' 0 N--CA 1.443 -1.472 0 CA-C-O 122.753 1.064 . . . . 0.0 109.63 -176.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.74 65.47 1.34 Allowed Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 114.97 -1.014 . . . . 0.0 113.757 -177.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 179.54 51.97 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.406 0.622 . . . . 0.0 109.99 -177.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 176.64 -50.84 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.128 0 CA-C-O 117.801 -1.095 . . . . 0.0 110.404 -176.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 175.61 72.92 0.07 OUTLIER Pre-proline 0 N--CA 1.45 -0.458 0 C-N-CA 126.812 2.045 . . . . 0.0 111.083 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -77.25 146.6 25.23 Favored 'Trans proline' 0 N--CA 1.445 -1.37 0 C-N-CA 123.045 2.497 . . . . 0.0 108.878 -177.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.66 57.41 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -94.07 19.77 8.77 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 122.182 0.991 . . . . 0.0 110.124 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.08 -54.39 45.31 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 120.249 -1.532 . . . . 0.0 108.134 -179.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.3 mt -66.59 -21.46 66.14 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.583 -1.19 . . . . 0.0 110.063 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.23 -48.76 78.56 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.464 0.706 . . . . 0.0 109.336 175.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -66.53 -47.84 71.63 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 120.712 -1.243 . . . . 0.0 109.969 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -56.85 -16.81 7.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.577 1.18 . . . . 0.0 112.989 176.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -65.5 -45.59 82.99 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 122.439 1.114 . . . . 0.0 109.248 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.7 t -60.67 -30.34 69.84 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 120.84 -1.162 . . . . 0.0 109.986 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.52 99.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 121.713 -0.617 . . . . 0.0 110.089 176.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -29.88 68.05 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 123.61 1.672 . . . . 0.0 109.661 176.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -40.05 93.58 Favored 'General case' 0 N--CA 1.444 -0.728 0 O-C-N 119.613 -1.93 . . . . 0.0 110.026 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -54.62 -40.52 68.99 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 123.616 0.572 . . . . 0.0 110.12 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.61 -48.97 67.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 122.01 0.91 . . . . 0.0 110.987 178.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.76 -18.24 21.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 120.599 -1.313 . . . . 0.0 109.996 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.21 1.13 57.22 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 120.735 -1.228 . . . . 0.0 112.689 174.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -25.92 64.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 123.539 1.638 . . . . 0.0 109.099 179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.21 154.96 0.57 Allowed Pre-proline 0 C--N 1.322 -0.605 0 O-C-N 120.71 -1.244 . . . . 0.0 111.295 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -73.87 59.27 4.25 Favored 'Trans proline' 0 N--CA 1.449 -1.118 0 C-N-CA 121.625 1.55 . . . . 0.0 109.948 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.07 176.96 4.45 Favored 'General case' 0 N--CA 1.434 -1.259 0 O-C-N 120.588 -1.32 . . . . 0.0 108.64 177.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.39 42.01 3.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 173.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 38.92 48.67 1.43 Allowed 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.358 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.4 t80 175.47 -49.65 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.118 0 CA-C-O 122.836 1.303 . . . . 0.0 109.631 -174.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.601 0 O-C-N 119.612 -1.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 117.448 -1.263 . . . . 0.0 109.931 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -73.89 -64.98 0.03 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.624 2.883 . . . . 0.0 106.985 -177.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 p -168.37 137.19 2.31 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -138.74 67.78 43.31 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 174.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -73.62 -19.51 21.4 Favored 'Trans proline' 0 N--CA 1.429 -2.271 0 CA-C-O 116.317 -1.618 . . . . 0.0 111.969 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 66.05 107.83 0.04 OUTLIER 'General case' 0 C--N 1.344 0.329 0 O-C-N 125.772 1.92 . . . . 0.0 108.574 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -100.72 136.96 19.74 Favored Pre-proline 0 C--O 1.244 0.794 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -79.6 -43.99 0.13 Allowed 'Trans proline' 0 N--CA 1.439 -1.733 0 N-CA-C 110.254 -0.71 . . . . 0.0 110.254 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.17 -127.27 1.85 Allowed Glycine 0 CA--C 1.511 -0.211 0 N-CA-C 107.853 -2.099 . . . . 0.0 107.853 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 62.85 162.21 0.09 Allowed 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 126.212 1.772 . . . . 0.0 109.65 -176.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 55.1 92.8 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.583 0 O-C-N 124.221 0.951 . . . . 0.0 110.13 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 44.58 72.25 1.27 Allowed Pre-proline 0 CA--C 1.546 0.794 0 CA-C-O 123.183 1.468 . . . . 0.0 109.885 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -77.13 173.36 14.53 Favored 'Trans proline' 0 N--CA 1.442 -1.531 0 N-CA-C 108.69 -1.312 . . . . 0.0 108.69 -176.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 77.22 53.38 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 122.908 1.337 . . . . 0.0 109.317 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.72 19.6 14.5 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 120.788 -1.195 . . . . 0.0 108.346 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -55.95 -33.93 65.21 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 120.34 -1.475 . . . . 0.0 110.327 174.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.4 tp -71.03 -16.75 62.63 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-O 117.654 -1.165 . . . . 0.0 109.116 -177.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.92 -32.11 3.6 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.947 0.899 . . . . 0.0 110.601 174.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -65.29 0.69 Allowed 'General case' 0 N--CA 1.439 -1.002 0 O-C-N 121.722 -0.612 . . . . 0.0 109.415 176.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -62.38 -17.53 59.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 123.773 1.749 . . . . 0.0 112.731 -178.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -48.8 -53.67 18.26 Favored 'General case' 0 C--N 1.312 -1.036 0 O-C-N 118.596 -2.565 . . . . 0.0 113.106 166.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t -59.51 -24.76 63.91 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -175.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.03 -51.58 60.78 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 122.424 0.289 . . . . 0.0 111.247 178.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mt -56.26 -24.48 43.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -45.44 90.84 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.874 175.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -57.27 -44.04 83.61 Favored 'General case' 0 C--O 1.226 -0.162 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -66.23 -47.08 74.96 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.98 0.895 . . . . 0.0 111.123 177.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.8 mt -67.05 -12.53 15.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 121.603 -0.686 . . . . 0.0 109.876 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -101.68 23.77 10.79 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 124.339 1.056 . . . . 0.0 110.599 176.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -154.3 33.49 0.42 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 123.563 1.649 . . . . 0.0 107.339 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -174.26 163.96 2.73 Favored Pre-proline 0 N--CA 1.445 -0.695 0 O-C-N 119.55 -1.969 . . . . 0.0 109.024 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -75.25 125.52 9.21 Favored 'Trans proline' 0 N--CA 1.445 -1.353 0 C-N-CA 122.147 1.898 . . . . 0.0 109.628 -178.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -23.69 54.07 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.379 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -126.28 53.49 1.63 Allowed 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.29 -9.32 31.66 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 118.562 -0.732 . . . . 0.0 110.8 175.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -166.96 86.77 0.28 Allowed 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -173.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.782 0 O-C-N 120.414 -1.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.556 0 N-CA-C 104.478 -2.415 . . . . 0.0 104.478 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -78.13 -179.97 5.94 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 123.002 2.468 . . . . 0.0 109.976 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 p -174.57 141.4 0.67 Allowed 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 175.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -138.25 84.84 19.43 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -70.43 159.25 53.53 Favored 'Trans proline' 0 N--CA 1.444 -1.407 0 C-N-CA 122.169 1.913 . . . . 0.0 110.518 177.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -168.45 -58.52 0.02 OUTLIER 'General case' 0 C--O 1.231 0.086 0 O-C-N 124.631 1.207 . . . . 0.0 108.686 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 50.11 85.17 0.19 Allowed Pre-proline 0 C--N 1.332 -0.159 0 C-N-CA 124.58 1.152 . . . . 0.0 110.019 -178.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -69.23 -41.03 5.34 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 121.605 1.537 . . . . 0.0 110.64 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.83 91.05 0.22 Allowed Glycine 0 N--CA 1.433 -1.512 0 N-CA-C 108.05 -2.02 . . . . 0.0 108.05 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 167.82 161.38 0.04 OUTLIER 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 174.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 53.21 -179.41 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 125.129 1.518 . . . . 0.0 110.295 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.84 106.16 0.63 Allowed Pre-proline 0 C--O 1.239 0.541 0 C-N-CA 123.025 0.53 . . . . 0.0 110.75 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.89 -171.19 0.91 Allowed 'Trans proline' 0 N--CA 1.441 -1.579 0 C-N-CA 122.607 2.205 . . . . 0.0 108.523 -174.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.5 7.17 3.85 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.12 176.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.12 17.73 3.45 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.065 0.946 . . . . 0.0 111.505 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -175.27 -44.04 0.01 OUTLIER 'General case' 0 C--O 1.238 0.496 0 CA-C-O 123.699 1.714 . . . . 0.0 108.913 -178.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.7 tp -63.43 -25.56 68.33 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.448 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.5 -29.58 6.97 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.594 0.758 . . . . 0.0 109.873 176.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -71.46 0.18 Allowed 'General case' 0 C--O 1.266 1.936 0 CA-C-O 125.755 2.693 . . . . 0.0 107.482 172.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -60.76 -14.58 22.27 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 118.132 -2.855 . . . . 0.0 113.981 -174.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -53.26 -54.11 41.06 Favored 'General case' 0 N--CA 1.416 -2.146 0 O-C-N 125.816 1.947 . . . . 0.0 109.411 171.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -30.33 62.08 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.317 -175.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.29 -52.5 61.26 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 121.897 0.855 . . . . 0.0 112.609 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mt -53.98 -27.03 28.92 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.864 177.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.07 -47.31 85.26 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 118.862 -0.589 . . . . 0.0 110.591 174.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -53.86 -43.09 69.24 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 118.391 0.541 . . . . 0.0 109.673 -177.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -62.73 -44.18 96.89 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.188 0.518 . . . . 0.0 110.719 176.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.6 mt -74.83 -11.02 14.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 O-C-N 121.694 -0.629 . . . . 0.0 110.105 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -104.4 13.77 31.35 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.157 1.383 . . . . 0.0 109.324 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 tt -154.33 39.61 0.46 Allowed 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -170.22 155.28 5.22 Favored Pre-proline 0 N--CA 1.447 -0.608 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.81 125.63 9.55 Favored 'Trans proline' 0 N--CA 1.44 -1.636 0 C-N-CA 122.01 1.807 . . . . 0.0 109.736 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -45.0 -56.35 4.71 Favored 'General case' 0 C--O 1.225 -0.188 0 O-C-N 124.052 0.845 . . . . 0.0 110.705 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -129.44 51.78 2.03 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.02 33.14 3.26 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 178.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -175.31 -53.28 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 123.332 1.539 . . . . 0.0 107.442 -172.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 O-C-N 121.22 -0.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.839 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.846 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -85.95 155.63 9.98 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 N-CA-C 107.767 -1.667 . . . . 0.0 107.767 -171.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -120.19 141.47 49.87 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 -177.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -54.28 153.27 9.97 Favored Pre-proline 0 N--CA 1.436 -1.167 0 CA-C-N 113.652 -1.613 . . . . 0.0 111.057 177.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -74.09 -15.59 23.09 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 122.68 2.253 . . . . 0.0 112.582 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -56.37 126.19 25.26 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 125.067 1.347 . . . . 0.0 111.321 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 158.52 -56.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 C-N-CA 127.983 2.513 . . . . 0.0 110.644 -171.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -73.85 173.45 13.97 Favored 'Trans proline' 0 N--CA 1.445 -1.373 0 C-N-CA 122.897 2.398 . . . . 0.0 110.43 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.92 -45.75 1.19 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 177.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.06 167.12 0.13 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.177 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -37.21 -52.68 1.05 Allowed 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 122.793 1.282 . . . . 0.0 111.312 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.78 107.86 0.74 Allowed Pre-proline 0 N--CA 1.425 -1.69 0 N-CA-C 105.088 -2.19 . . . . 0.0 105.088 174.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -81.94 1.36 9.27 Favored 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 122.739 2.293 . . . . 0.0 112.684 174.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.8 54.97 2.17 Favored 'General case' 0 CA--C 1.498 -1.026 0 C-N-CA 125.628 1.571 . . . . 0.0 108.448 -168.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . 0.282 0.0 OUTLIER -83.57 6.99 18.62 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 120.758 -1.214 . . . . 0.0 112.865 174.344 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.09 -70.32 0.12 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 123.29 1.519 . . . . 0.0 109.734 -169.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 pp -65.41 -21.38 66.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 113.205 -1.816 . . . . 0.0 110.76 175.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.66 93.1 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.028 1.286 . . . . 0.0 110.465 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -66.85 -51.31 57.03 Favored 'General case' 0 C--O 1.247 0.961 0 O-C-N 120.567 -1.333 . . . . 0.0 109.423 175.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -64.35 -11.41 32.09 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 121.779 0.8 . . . . 0.0 112.299 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -57.41 -53.38 58.77 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 124.278 1.99 . . . . 0.0 109.853 174.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.0 -26.38 64.46 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 113.524 -1.671 . . . . 0.0 110.631 -175.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.76 -52.7 48.88 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.24 0.616 . . . . 0.0 111.136 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mt -51.55 -35.48 41.05 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 174.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -59.25 -57.78 11.5 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-O 117.773 -1.108 . . . . 0.0 110.137 174.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -54.12 -41.85 68.8 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 119.23 0.923 . . . . 0.0 108.652 -174.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -60.37 -36.41 77.98 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.4 mt -86.64 -19.91 7.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 O-C-N 120.099 -1.625 . . . . 0.0 110.855 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.88 -8.95 59.07 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 126.502 1.921 . . . . 0.0 112.536 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.2 mp -69.35 -7.64 39.17 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.999 172.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.67 149.2 0.64 Allowed Pre-proline 0 CA--C 1.541 0.628 0 CA-C-O 118.119 -0.943 . . . . 0.0 110.924 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -72.76 63.32 3.9 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 124.548 3.499 . . . . 0.0 110.132 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? 58.06 109.18 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 125.723 1.609 . . . . 0.0 111.388 -176.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -155.0 63.11 0.64 Allowed 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 118.473 -1.291 . . . . 0.0 108.009 177.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.63 -5.61 12.17 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 114.645 -1.161 . . . . 0.0 113.935 176.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -103.78 -12.3 17.03 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 126.157 1.783 . . . . 0.0 107.945 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.562 0 O-C-N 119.415 -2.053 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.478 0.18 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 70.65 5.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.502 1.791 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 p -99.74 -51.64 3.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.991 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -128.22 86.41 58.02 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -4.12 14.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.557 1.819 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 49.4 -174.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -128.68 96.0 30.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -58.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.802 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.35 126.97 1.25 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 111.062 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -176.52 130.65 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.293 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 57.44 172.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.06 109.69 1.91 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 161.15 39.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.6 59.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.239 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -97.19 17.92 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.14 -52.0 67.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.492 ' HA ' ' CD2' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -74.8 -31.29 61.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.35 -21.0 61.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.448 ' C ' ' NH1' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -69.01 -72.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.572 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -57.25 -15.65 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -40.86 94.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -22.53 67.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.025 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.73 -51.25 63.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.432 ' O ' ' CD1' ' A' ' 28' ' ' ILE . 0.9 OUTLIER -58.39 -20.99 48.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.66 -46.14 59.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -55.71 -44.68 77.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.623 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -68.85 -36.54 78.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.432 ' CD1' ' O ' ' A' ' 24' ' ' LEU . 29.4 mt -75.15 -11.95 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -111.31 17.86 19.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -155.84 40.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -178.04 156.47 1.07 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 112.88 3.66 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.83 142.35 8.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 74.88 78.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -112.58 -95.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.24 92.03 8.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 116.748 -1.596 . . . . 0.0 113.361 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -79.39 -71.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.562 0 CA-C-N 121.763 1.665 . . . . 0.0 108.315 -172.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t 46.86 55.55 7.74 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.504 1.522 . . . . 0.0 111.061 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.57 -56.83 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.509 0 C-N-CA 124.505 1.122 . . . . 0.0 112.101 -172.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -77.11 147.65 26.64 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.564 2.843 . . . . 0.0 109.512 174.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -167.71 166.02 13.98 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 128.242 2.617 . . . . 0.0 107.479 -175.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -109.3 106.33 58.48 Favored Pre-proline 0 CA--C 1.536 0.433 0 C-N-CA 126.615 1.966 . . . . 0.0 106.28 175.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -82.14 -39.04 0.17 Allowed 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.9 2.4 . . . . 0.0 111.514 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.74 173.4 16.02 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 108.1 -2.0 . . . . 0.0 108.1 -177.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -177.54 69.48 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.577 1.951 . . . . 0.0 107.291 -172.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -179.77 -73.45 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.867 2.067 . . . . 0.0 107.617 177.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.55 66.24 1.09 Allowed Pre-proline 0 N--CA 1.445 -0.722 0 C-N-CA 126.242 1.817 . . . . 0.0 109.831 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -72.55 140.49 33.04 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 122.07 1.847 . . . . 0.0 109.686 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.82 -69.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.59 22.3 4.78 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.044 0.938 . . . . 0.0 111.768 178.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -63.94 -61.92 1.97 Allowed 'General case' 0 C--O 1.239 0.547 0 CA-C-O 122.764 1.268 . . . . 0.0 108.963 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.5 tp -56.2 -26.57 51.4 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.109 173.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.88 -32.88 9.63 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.156 1.344 . . . . 0.0 111.481 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -63.67 1.13 Allowed 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 119.213 -0.995 . . . . 0.0 109.783 173.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 m-30 -60.14 -15.92 27.96 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.8 -46.04 91.24 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 113.849 -1.523 . . . . 0.0 108.383 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.16 -29.25 30.38 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.323 -0.86 . . . . 0.0 112.036 179.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.8 -54.48 41.75 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.933 0.493 . . . . 0.0 110.64 177.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.2 mt -59.8 -32.72 70.89 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 122.015 0.912 . . . . 0.0 109.63 175.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -46.66 83.98 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 117.913 -1.041 . . . . 0.0 111.357 172.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -54.18 -46.58 72.39 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.845 1.202 . . . . 0.0 110.739 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -53.8 -42.24 68.16 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.417 0.687 . . . . 0.0 109.889 176.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.93 -10.33 11.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.739 0.815 . . . . 0.0 111.676 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.3 -12.83 45.37 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 119.768 -1.832 . . . . 0.0 110.497 175.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.37 -7.17 22.78 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 178.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -172.14 -59.72 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.34 0 C-N-CA 124.996 1.318 . . . . 0.0 108.715 -176.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -78.07 51.41 3.65 Favored 'Trans proline' 0 CA--C 1.548 1.2 0 C-N-CA 121.801 1.668 . . . . 0.0 113.383 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -52.35 60.39 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 123.852 0.861 . . . . 0.0 111.023 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.23 79.0 0.07 Allowed 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.666 1.186 . . . . 0.0 107.928 -177.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -112.76 39.8 2.43 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.77 -0.581 . . . . 0.0 110.194 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -151.44 96.53 2.29 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-O 122.897 1.332 . . . . 0.0 107.514 -173.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.758 0 O-C-N 119.758 -1.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 N--CA 1.476 0.835 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -71.07 -173.5 0.92 Allowed 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 121.655 1.57 . . . . 0.0 112.288 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.7 p -151.0 105.57 3.26 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-O 116.215 -1.85 . . . . 0.0 106.359 177.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -33.91 97.2 0.11 Allowed Pre-proline 0 N--CA 1.452 -0.331 0 O-C-N 124.679 1.237 . . . . 0.0 112.076 175.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -76.94 -19.32 14.04 Favored 'Trans proline' 0 N--CA 1.443 -1.489 0 C-N-CA 122.39 2.06 . . . . 0.0 107.696 -175.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -174.79 -52.95 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 178.15 126.99 0.2 Allowed Pre-proline 0 N--CA 1.446 -0.65 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.044 -177.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -66.37 -174.25 0.42 Allowed 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 123.234 2.623 . . . . 0.0 109.891 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.29 119.18 0.49 Allowed Glycine 0 C--O 1.219 -0.808 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 177.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -170.61 169.22 7.29 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 t0 76.99 -60.49 0.46 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.52 1.528 . . . . 0.0 107.877 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -174.56 84.33 0.34 Allowed Pre-proline 0 N--CA 1.443 -0.801 0 CA-C-O 117.64 -1.171 . . . . 0.0 110.906 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -70.81 132.3 21.38 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 124.007 3.138 . . . . 0.0 110.415 -176.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -178.33 54.32 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -92.79 19.5 7.52 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.645 0.736 . . . . 0.0 110.444 175.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -59.23 -52.37 65.96 Favored 'General case' 0 N--CA 1.442 -0.852 0 O-C-N 120.368 -1.457 . . . . 0.0 109.615 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -35.45 77.82 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.269 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.2 -23.08 13.19 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 173.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 -68.79 -78.78 0.06 Allowed 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -50.66 -15.33 0.26 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 124.489 2.09 . . . . 0.0 116.221 -178.146 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -46.94 86.17 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 111.632 -2.531 . . . . 0.0 109.769 177.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -56.28 -27.1 54.2 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -178.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.66 -54.66 24.55 Favored 'General case' 0 N--CA 1.442 -0.874 0 O-C-N 121.084 -1.01 . . . . 0.0 110.197 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.57 -26.74 65.66 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.37 -0.831 . . . . 0.0 110.421 176.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -66.35 -40.47 89.82 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-O 118.077 -0.963 . . . . 0.0 108.654 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -54.07 -51.24 64.75 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -66.86 -47.71 71.07 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 124.722 1.209 . . . . 0.0 110.542 -175.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -54.97 -24.5 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.108 176.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -103.46 28.89 6.06 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 124.71 1.204 . . . . 0.0 111.942 176.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.62 24.9 0.34 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 -176.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -170.94 85.17 0.51 Allowed Pre-proline 0 N--CA 1.45 -0.434 0 O-C-N 120.194 -1.566 . . . . 0.0 108.631 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -74.52 123.95 8.5 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 122.322 2.015 . . . . 0.0 109.789 -178.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.54 96.87 0.11 Allowed 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 64.46 70.51 0.49 Allowed 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 178.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -114.1 57.5 0.69 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 121.599 -0.688 . . . . 0.0 110.691 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -171.31 44.56 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.508 0 O-C-N 123.596 0.56 . . . . 0.0 109.795 -175.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 O-C-N 121.563 -0.711 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.631 0 CA-C-O 121.701 0.762 . . . . 0.0 109.561 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.515 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 19.4 t80 -55.25 -16.88 3.69 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 123.264 1.506 . . . . 0.0 112.594 175.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -64.73 -47.55 77.87 Favored 'General case' 0 C--N 1.314 -0.954 0 O-C-N 119.981 -1.7 . . . . 0.0 109.515 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -26.28 68.47 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.619 1.199 . . . . 0.0 110.667 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -59.85 -50.96 71.76 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 121.468 -0.77 . . . . 0.0 111.468 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mt -54.61 -29.48 52.0 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 122.27 1.033 . . . . 0.0 109.848 175.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -44.91 95.0 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 117.564 -1.208 . . . . 0.0 111.85 174.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -54.2 -40.65 67.8 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.825 0.85 . . . . 0.0 110.76 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -63.5 -54.26 39.14 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 122.548 1.166 . . . . 0.0 110.474 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.0 mt -69.09 -12.13 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.097 0 CA-C-O 122.589 1.185 . . . . 0.0 109.309 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.45 -0.467 0 O-C-N 120.215 -1.553 . . . . 0.0 110.352 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.445 -0.693 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.42 ' CE2' HD11 ' A' ' 24' ' ' LEU . 16.8 t80 -63.57 -11.31 23.55 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -59.81 -50.63 73.07 Favored 'General case' 0 C--O 1.246 0.9 0 C-N-CA 125.493 1.517 . . . . 0.0 108.326 174.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -28.14 68.7 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 123.258 0.623 . . . . 0.0 110.195 -177.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.73 -49.97 72.95 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 121.344 -0.848 . . . . 0.0 109.277 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.42 HD11 ' CE2' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -56.52 -35.28 67.88 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.299 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -53.3 -50.43 64.94 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.235 176.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -53.35 -47.57 69.28 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -175.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -59.12 -52.91 63.69 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 124.013 0.925 . . . . 0.0 110.148 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.2 mt -59.96 -23.96 28.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 C-N-CA 123.299 0.639 . . . . 0.0 110.939 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 CA--C 1.54 0.578 0 C-N-CA 126.933 2.093 . . . . 0.0 112.862 177.198 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.237 0.435 0 CA-C-O 122.148 0.975 . . . . 0.0 109.563 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.447 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 15.6 m-85 -60.36 -14.39 18.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 122.637 1.208 . . . . 0.0 112.108 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -63.75 -47.27 81.69 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 120.43 -1.419 . . . . 0.0 110.036 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.03 -22.9 52.06 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.656 0.741 . . . . 0.0 110.825 178.195 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -65.74 -55.97 14.51 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 120.44 -1.413 . . . . 0.0 110.0 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 mt -58.0 -26.85 62.91 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -40.37 96.54 Favored 'General case' 0 CA--C 1.507 -0.709 0 O-C-N 120.015 -1.678 . . . . 0.0 111.702 175.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -55.16 -42.13 72.72 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.185 0.902 . . . . 0.0 109.381 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -62.99 -48.64 77.95 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 122.063 0.935 . . . . 0.0 111.921 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.15 -12.48 16.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.065 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 CA--C 1.501 -0.919 0 C-N-CA 125.085 1.354 . . . . 0.0 110.408 178.418 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 . . . . . 0 CA--C 1.502 -0.873 0 CA-C-O 119.27 -0.395 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -62.18 -11.32 13.85 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 122.633 1.206 . . . . 0.0 114.1 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -57.38 -47.54 81.39 Favored 'General case' 0 C--N 1.311 -1.092 0 O-C-N 119.451 -2.031 . . . . 0.0 109.107 173.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.52 -24.48 63.7 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.514 -0.741 . . . . 0.0 110.841 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.31 -51.23 66.91 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.445 -0.785 . . . . 0.0 109.51 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mt -58.47 -27.59 64.55 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.622 0.725 . . . . 0.0 110.757 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -41.67 98.21 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 117.534 -1.222 . . . . 0.0 110.915 173.044 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -55.95 -44.33 78.35 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -176.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -53.55 -48.52 69.04 Favored 'General case' 0 C--N 1.31 -1.148 0 C-N-CA 125.447 1.499 . . . . 0.0 111.962 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.5 mt -77.79 -15.21 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 O-C-N 121.778 -0.576 . . . . 0.0 109.596 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.522 -0.1 0 C-N-CA 124.994 1.318 . . . . 0.0 111.278 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.604 0 CA-C-O 121.201 0.524 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -56.53 -16.67 6.42 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-O 122.564 1.173 . . . . 0.0 113.327 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -64.97 -45.58 85.08 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-O 122.51 1.148 . . . . 0.0 110.821 -177.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 p -55.25 -33.61 63.3 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.006 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.02 -57.56 12.53 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.256 1.027 . . . . 0.0 108.892 -176.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -26.3 62.92 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.856 0.836 . . . . 0.0 109.349 176.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -45.46 87.08 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 117.295 -1.336 . . . . 0.0 110.014 175.244 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -54.01 -43.1 69.8 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 119.078 0.854 . . . . 0.0 109.414 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -64.1 -47.27 80.67 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 123.128 0.571 . . . . 0.0 112.381 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.7 mt -75.66 -8.69 11.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 123.556 0.535 . . . . 0.0 109.746 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.513 -0.45 0 O-C-N 120.759 -1.213 . . . . 0.0 108.318 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 . . . . . 0 C--O 1.235 0.328 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.478 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 7.0 t80 -60.48 -13.77 15.64 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 123.833 1.778 . . . . 0.0 112.628 178.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -64.57 -46.72 81.56 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 120.124 -1.61 . . . . 0.0 110.318 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.09 -24.83 18.94 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.512 -0.875 . . . . 0.0 111.088 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -62.09 -58.14 8.95 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 118.823 -0.608 . . . . 0.0 109.439 177.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.84 -28.9 1.72 Allowed 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 122.783 1.278 . . . . 0.0 110.48 177.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -62.41 -54.94 32.96 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 120.523 -1.36 . . . . 0.0 109.773 176.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -53.44 -40.27 65.07 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 118.967 0.803 . . . . 0.0 109.025 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.05 -47.32 81.23 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 122.447 1.118 . . . . 0.0 112.325 173.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.8 mt -81.83 -11.06 12.33 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 C-N-CA 116.411 -2.116 . . . . 0.0 108.267 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.2 t30 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 119.525 -1.984 . . . . 0.0 109.792 -177.551 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? . . . . . 0 C--O 1.248 1.021 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.489 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 28.0 t80 -63.36 -13.02 34.76 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-O 124.178 1.942 . . . . 0.0 112.642 -174.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -58.38 -51.6 69.15 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 114.245 -1.343 . . . . 0.0 113.563 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.7 -24.68 58.02 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.762 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -65.77 -58.57 5.35 Favored 'General case' 0 N--CA 1.439 -0.983 0 O-C-N 121.603 -0.686 . . . . 0.0 110.902 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.18 -24.99 29.68 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.284 0.564 . . . . 0.0 109.762 177.175 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 mtt85 -63.5 -47.42 81.77 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.092 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -54.19 -44.79 71.86 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 118.586 0.63 . . . . 0.0 109.613 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -66.24 -45.59 80.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.969 0.89 . . . . 0.0 111.441 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.0 mt -69.49 -11.87 15.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 121.823 -0.548 . . . . 0.0 110.271 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 . . . . . 0 CA--C 1.517 -0.303 0 C-N-CA 123.926 0.891 . . . . 0.0 109.524 178.448 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 . . . . . 0 C--O 1.24 0.566 0 CA-C-O 122.243 1.021 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.442 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 7.8 t80 -66.28 -10.51 43.18 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.528 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.35 -49.35 74.65 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 123.356 1.55 . . . . 0.0 111.224 173.246 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -57.85 -25.29 60.5 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 113.758 -1.565 . . . . 0.0 109.409 -175.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -60.27 -56.63 19.13 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.011 -1.056 . . . . 0.0 110.417 176.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.33 -30.01 64.44 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.318 -0.864 . . . . 0.0 109.377 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.64 -39.45 91.37 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 121.3 -0.875 . . . . 0.0 111.068 176.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -54.87 -51.05 67.17 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 118.848 0.749 . . . . 0.0 110.321 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -57.78 -48.0 80.94 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.037 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.1 mt -68.31 -14.1 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 O-C-N 121.795 -0.566 . . . . 0.0 110.616 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 . . . . . 0 CA--C 1.52 -0.207 0 C-N-CA 125.348 1.459 . . . . 0.0 110.476 177.179 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.197 -1.671 0 CA-C-O 125.615 2.626 . . . . 0.0 107.316 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.498 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -66.73 -11.94 56.62 Favored 'General case' 0 C--N 1.391 2.373 0 CA-C-O 116.242 -1.837 . . . . 0.0 107.9 -173.071 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.1 -48.89 78.78 Favored 'General case' 0 C--O 1.202 -1.41 0 CA-C-O 126.211 2.91 . . . . 0.0 109.723 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.28 -31.87 45.91 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-N 113.542 -1.663 . . . . 0.0 110.362 178.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -59.46 -46.62 88.26 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 119.32 -2.112 . . . . 0.0 110.45 177.4 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.7 mt -62.68 -26.02 68.44 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.588 -0.695 . . . . 0.0 110.207 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -64.8 -37.37 87.39 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.353 -0.842 . . . . 0.0 110.866 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -53.93 -39.1 65.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 119.315 0.961 . . . . 0.0 110.05 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -60.76 -39.73 89.86 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 122.993 0.517 . . . . 0.0 111.062 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.6 mm -88.95 -10.04 10.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.797 0.808 . . . . 0.0 110.539 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 t30 . . . . . 0 N--CA 1.448 -0.567 0 C-N-CA 125.232 1.413 . . . . 0.0 109.194 175.958 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.242 0.693 0 CA-C-O 122.667 1.222 . . . . 0.0 109.169 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -58.93 -16.89 19.96 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 176.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.645 ' HA ' HD23 ' A' ' 24' ' ' LEU . 7.3 t80 -61.51 -52.28 65.13 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 124.761 1.224 . . . . 0.0 109.444 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -38.71 85.18 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.154 -0.967 . . . . 0.0 110.489 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.15 -51.84 68.27 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 119.127 -0.463 . . . . 0.0 110.945 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.645 HD23 ' HA ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -59.29 -26.64 65.14 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.734 1.254 . . . . 0.0 109.947 175.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -63.79 -31.5 72.7 Favored 'General case' 0 N--CA 1.44 -0.928 0 O-C-N 120.126 -1.609 . . . . 0.0 110.802 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -53.92 -34.5 59.77 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.77 0.714 . . . . 0.0 110.927 176.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -65.08 -61.22 2.27 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 122.369 1.08 . . . . 0.0 108.842 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.9 mt -60.54 -23.47 28.61 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 O-C-N 121.114 -0.991 . . . . 0.0 111.262 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 . . . . . 0 N--CA 1.451 -0.405 0 O-C-N 121.101 -0.999 . . . . 0.0 112.614 174.96 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 . . . . . 0 C--O 1.239 0.533 0 CA-C-O 121.658 0.742 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.435 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 20.9 t80 -56.85 -16.81 7.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.577 1.18 . . . . 0.0 112.989 176.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -65.5 -45.59 82.99 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 122.439 1.114 . . . . 0.0 109.248 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.7 t -60.67 -30.34 69.84 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 120.84 -1.162 . . . . 0.0 109.986 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -62.37 -42.52 99.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 121.713 -0.617 . . . . 0.0 110.089 176.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.645 HD11 HD11 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -59.4 -29.88 68.05 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 123.61 1.672 . . . . 0.0 109.661 176.323 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -40.05 93.58 Favored 'General case' 0 N--CA 1.444 -0.728 0 O-C-N 119.613 -1.93 . . . . 0.0 110.026 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -54.62 -40.52 68.99 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 123.616 0.572 . . . . 0.0 110.12 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.61 -48.97 67.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 122.01 0.91 . . . . 0.0 110.987 178.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.645 HD11 HD11 ' A' ' 24' ' ' LEU . 97.4 mt -63.76 -18.24 21.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 120.599 -1.313 . . . . 0.0 109.996 178.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 O-C-N 120.735 -1.228 . . . . 0.0 112.689 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.439 -1.002 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -62.38 -17.53 59.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 123.773 1.749 . . . . 0.0 112.731 -178.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -48.8 -53.67 18.26 Favored 'General case' 0 C--N 1.312 -1.036 0 O-C-N 118.596 -2.565 . . . . 0.0 113.106 166.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t -59.51 -24.76 63.91 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -175.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.03 -51.58 60.78 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 122.424 0.289 . . . . 0.0 111.247 178.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mt -56.26 -24.48 43.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -45.44 90.84 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.874 175.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -57.27 -44.04 83.61 Favored 'General case' 0 C--O 1.226 -0.162 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -66.23 -47.08 74.96 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.98 0.895 . . . . 0.0 111.123 177.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.8 mt -67.05 -12.53 15.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 121.603 -0.686 . . . . 0.0 109.876 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 CA--C 1.513 -0.452 0 C-N-CA 124.339 1.056 . . . . 0.0 110.599 176.729 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.266 1.936 0 CA-C-O 125.755 2.693 . . . . 0.0 107.482 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.561 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 49.7 t80 -60.76 -14.58 22.27 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 118.132 -2.855 . . . . 0.0 113.981 -174.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -53.26 -54.11 41.06 Favored 'General case' 0 N--CA 1.416 -2.146 0 O-C-N 125.816 1.947 . . . . 0.0 109.411 171.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -30.33 62.08 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.317 -175.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -54.29 -52.5 61.26 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 121.897 0.855 . . . . 0.0 112.609 178.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mt -53.98 -27.03 28.92 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.864 177.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.07 -47.31 85.26 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 118.862 -0.589 . . . . 0.0 110.591 174.521 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -53.86 -43.09 69.24 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 118.391 0.541 . . . . 0.0 109.673 -177.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -62.73 -44.18 96.89 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.188 0.518 . . . . 0.0 110.719 176.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.6 mt -74.83 -11.02 14.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 O-C-N 121.694 -0.629 . . . . 0.0 110.105 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 N--CA 1.451 -0.407 0 C-N-CA 125.157 1.383 . . . . 0.0 109.324 179.017 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 . . . . . 0 C--O 1.247 0.961 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.418 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 24.9 t80 -64.35 -11.41 32.09 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 121.779 0.8 . . . . 0.0 112.299 -178.627 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -57.41 -53.38 58.77 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 124.278 1.99 . . . . 0.0 109.853 174.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.0 -26.38 64.46 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 113.524 -1.671 . . . . 0.0 110.631 -175.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -65.76 -52.7 48.88 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.24 0.616 . . . . 0.0 111.136 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.406 HD11 ' CE2' ' A' ' 20' ' ' TYR . 1.4 mt -51.55 -35.48 41.05 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 174.004 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -59.25 -57.78 11.5 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-O 117.773 -1.108 . . . . 0.0 110.137 174.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -54.12 -41.85 68.8 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 119.23 0.923 . . . . 0.0 108.652 -174.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -60.37 -36.41 77.98 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.4 mt -86.64 -19.91 7.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 O-C-N 120.099 -1.625 . . . . 0.0 110.855 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.504 -0.79 0 C-N-CA 126.502 1.921 . . . . 0.0 112.536 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.448 ' C ' ' NH1' ' A' ' 19' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.572 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -57.25 -15.65 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.497 ' HA ' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -65.29 -40.86 94.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -22.53 67.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.025 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -64.73 -51.25 63.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.634 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -58.39 -20.99 48.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.66 -46.14 59.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -55.71 -44.68 77.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.623 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -68.85 -36.54 78.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.634 HD12 ' O ' ' A' ' 24' ' ' LEU . 29.4 mt -75.15 -11.95 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.643 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.447 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 2.0 m-30 -60.14 -15.92 27.96 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -178.721 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.8 -46.04 91.24 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 113.849 -1.523 . . . . 0.0 108.383 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.16 -29.25 30.38 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.323 -0.86 . . . . 0.0 112.036 179.207 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -61.8 -54.48 41.75 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.933 0.493 . . . . 0.0 110.64 177.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.2 mt -59.8 -32.72 70.89 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 122.015 0.912 . . . . 0.0 109.63 175.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -46.66 83.98 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 117.913 -1.041 . . . . 0.0 111.357 172.408 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -54.18 -46.58 72.39 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.845 1.202 . . . . 0.0 110.739 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -53.8 -42.24 68.16 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.417 0.687 . . . . 0.0 109.889 176.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.93 -10.33 11.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.739 0.815 . . . . 0.0 111.676 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.408 0 O-C-N 119.768 -1.832 . . . . 0.0 110.497 175.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 . . . . . 0 N--CA 1.431 -1.415 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -50.66 -15.33 0.26 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 124.489 2.09 . . . . 0.0 116.221 -178.146 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.631 ' HA ' HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -62.5 -46.94 86.17 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 111.632 -2.531 . . . . 0.0 109.769 177.403 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -56.28 -27.1 54.2 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -178.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -65.66 -54.66 24.55 Favored 'General case' 0 N--CA 1.442 -0.874 0 O-C-N 121.084 -1.01 . . . . 0.0 110.197 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.631 HD23 ' HA ' ' A' ' 21' ' ' TYR . 0.5 OUTLIER -59.57 -26.74 65.66 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.37 -0.831 . . . . 0.0 110.421 176.486 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -66.35 -40.47 89.82 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-O 118.077 -0.963 . . . . 0.0 108.654 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -54.07 -51.24 64.75 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -66.86 -47.71 71.07 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 124.722 1.209 . . . . 0.0 110.542 -175.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -54.97 -24.5 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.108 176.1 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.223 -0.302 0 C-N-CA 124.71 1.204 . . . . 0.0 111.942 176.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.611 ' CG ' ' HD2' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.456 0 CA-C-O 117.363 -1.303 . . . . 0.0 110.645 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.611 ' HD2' ' CG ' ' A' ' 1' ' ' TYR . 19.8 Cg_endo -76.92 -163.16 0.19 Allowed 'Trans proline' 0 CA--C 1.536 0.598 0 C-N-CA 124.145 3.23 . . . . 0.0 107.505 176.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t 71.27 -75.6 0.07 Allowed 'General case' 0 C--O 1.245 0.855 0 C-N-CA 125.533 1.533 . . . . 0.0 107.658 -175.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.9 mttp 163.46 -58.0 0.0 OUTLIER Pre-proline 0 N--CA 1.448 -0.533 0 C-N-CA 131.096 3.758 . . . . 0.0 111.541 -174.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -76.94 175.67 11.09 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 123.006 2.471 . . . . 0.0 108.64 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 t0 177.67 101.55 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 103.488 -2.782 . . . . 0.0 103.488 -175.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -167.81 155.2 7.96 Favored Pre-proline 0 CA--C 1.515 -0.377 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 173.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -74.68 -169.43 0.61 Allowed 'Trans proline' 0 N--CA 1.45 -1.048 0 C-N-CA 121.858 1.706 . . . . 0.0 109.84 177.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.2 166.94 0.62 Allowed Glycine 0 C--N 1.341 0.824 0 C-N-CA 127.554 2.502 . . . . 0.0 114.562 171.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -139.45 166.73 23.79 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 118.558 -1.257 . . . . 0.0 108.251 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -89.0 26.9 1.45 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.13 0.967 . . . . 0.0 110.959 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -170.5 70.68 0.57 Allowed Pre-proline 0 N--CA 1.44 -0.941 0 N-CA-C 104.559 -2.385 . . . . 0.0 104.559 -177.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -76.5 117.47 4.58 Favored 'Trans proline' 0 N--CA 1.445 -1.337 0 N-CA-C 105.597 -2.501 . . . . 0.0 105.597 174.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.47 56.6 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.515 1.526 . . . . 0.0 109.551 172.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -113.11 18.36 18.05 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.872 1.269 . . . . 0.0 111.56 178.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.46 -62.99 1.31 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 125.278 2.466 . . . . 0.0 109.555 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.9 mt -65.12 -23.5 67.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 112.279 -2.237 . . . . 0.0 110.79 178.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.29 93.84 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.164 -0.96 . . . . 0.0 112.354 174.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.79 -49.01 42.65 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 118.545 -1.262 . . . . 0.0 109.561 177.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.515 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 19.4 t80 -55.25 -16.88 3.69 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 123.264 1.506 . . . . 0.0 112.594 175.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -64.73 -47.55 77.87 Favored 'General case' 0 C--N 1.314 -0.954 0 O-C-N 119.981 -1.7 . . . . 0.0 109.515 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -26.28 68.47 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.619 1.199 . . . . 0.0 110.667 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -59.85 -50.96 71.76 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 121.468 -0.77 . . . . 0.0 111.468 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mt -54.61 -29.48 52.0 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 122.27 1.033 . . . . 0.0 109.848 175.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -44.91 95.0 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 117.564 -1.208 . . . . 0.0 111.85 174.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -54.2 -40.65 67.8 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.825 0.85 . . . . 0.0 110.76 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -63.5 -54.26 39.14 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 122.548 1.166 . . . . 0.0 110.474 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.0 mt -69.09 -12.13 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.097 0 CA-C-O 122.589 1.185 . . . . 0.0 109.309 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.4 -3.38 55.47 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.215 -1.553 . . . . 0.0 110.352 178.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.1 mt -73.37 -5.73 41.62 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 118.847 0.749 . . . . 0.0 112.342 172.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.17 160.54 16.43 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-O 118.415 -0.802 . . . . 0.0 109.32 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -78.86 57.76 6.56 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.715 2.944 . . . . 0.0 109.523 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 39.16 75.59 0.07 Allowed 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 125.163 1.385 . . . . 0.0 110.711 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.04 48.78 1.75 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.29 38.61 0.78 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.909 0.861 . . . . 0.0 110.415 -178.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -139.98 -54.53 0.54 Allowed 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 106.171 -1.789 . . . . 0.0 106.171 -174.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 O-C-N 123.384 0.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -75.52 65.38 6.51 Favored 'Trans proline' 0 CA--C 1.554 1.475 0 C-N-CA 121.785 1.656 . . . . 0.0 110.441 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.22 123.75 37.3 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 125.709 1.604 . . . . 0.0 108.303 174.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -148.42 66.21 9.04 Favored Pre-proline 0 N--CA 1.472 0.64 0 CA-C-N 120.371 1.441 . . . . 0.0 111.465 171.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -69.91 130.35 19.02 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.365 2.044 . . . . 0.0 110.429 -169.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -143.53 103.63 4.12 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 103.447 -2.797 . . . . 0.0 103.447 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -137.63 132.23 17.45 Favored Pre-proline 0 N--CA 1.484 1.248 0 C-N-CA 126.02 1.728 . . . . 0.0 110.468 171.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -72.03 121.0 7.2 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 122.048 1.832 . . . . 0.0 111.548 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.25 116.88 0.39 Allowed Glycine 0 CA--C 1.529 0.927 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 61.75 64.79 0.99 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.402 1.081 . . . . 0.0 111.771 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -167.17 -57.66 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 176.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -172.36 73.53 0.45 Allowed Pre-proline 0 CA--C 1.543 0.685 0 C-N-CA 127.075 2.15 . . . . 0.0 109.226 -176.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -71.82 144.77 44.31 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.112 1.875 . . . . 0.0 109.874 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.53 57.99 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.719 1.608 . . . . 0.0 109.242 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.51 13.75 4.27 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 177.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -54.12 -78.74 0.02 OUTLIER 'General case' 0 C--O 1.235 0.341 0 C-N-CA 125.683 1.593 . . . . 0.0 108.912 176.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 pp -63.86 -19.43 65.05 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.658 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.11 99.43 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 119.382 0.992 . . . . 0.0 111.054 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -52.18 59.19 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 176.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.42 ' CE2' HD11 ' A' ' 24' ' ' LEU . 16.8 t80 -63.57 -11.31 23.55 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -59.81 -50.63 73.07 Favored 'General case' 0 C--O 1.246 0.9 0 C-N-CA 125.493 1.517 . . . . 0.0 108.326 174.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -28.14 68.7 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 123.258 0.623 . . . . 0.0 110.195 -177.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.73 -49.97 72.95 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 121.344 -0.848 . . . . 0.0 109.277 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.42 HD11 ' CE2' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -56.52 -35.28 67.88 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.299 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -53.3 -50.43 64.94 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.235 176.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -53.35 -47.57 69.28 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -175.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -59.12 -52.91 63.69 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 124.013 0.925 . . . . 0.0 110.148 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.2 mt -59.96 -23.96 28.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 C-N-CA 123.299 0.639 . . . . 0.0 110.939 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -89.43 15.76 8.69 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.933 2.093 . . . . 0.0 112.862 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tt -153.05 32.23 0.48 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.72 1.608 . . . . 0.0 108.087 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.68 158.29 42.21 Favored Pre-proline 0 CA--C 1.548 0.873 0 O-C-N 119.711 -1.868 . . . . 0.0 111.383 174.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -68.24 78.54 0.61 Allowed 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 123.438 2.759 . . . . 0.0 109.389 -177.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 59.05 -88.99 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.404 1.882 . . . . 0.0 109.391 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.26 42.16 2.77 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.342 1.857 . . . . 0.0 108.215 -175.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 51.06 48.08 23.71 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.559 1.144 . . . . 0.0 110.568 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -167.25 -53.68 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -174.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 O-C-N 121.845 -0.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -76.15 110.46 3.07 Favored 'Trans proline' 0 N--CA 1.442 -1.506 0 N-CA-C 108.826 -1.259 . . . . 0.0 108.826 -176.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.08 136.91 49.87 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 178.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -114.91 86.48 13.44 Favored Pre-proline 0 C--O 1.22 -0.451 0 CA-C-O 117.674 -1.155 . . . . 0.0 109.927 175.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -72.18 -173.21 1.03 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.868 2.379 . . . . 0.0 107.976 -177.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 77.3 140.86 0.07 Allowed 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 174.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -113.91 86.34 11.0 Favored Pre-proline 0 N--CA 1.467 0.376 0 CA-C-O 116.895 -1.526 . . . . 0.0 109.247 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -74.44 -160.57 0.1 Allowed 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 122.81 2.34 . . . . 0.0 109.68 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 145.9 71.52 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 108.065 -2.014 . . . . 0.0 108.065 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -177.84 140.08 0.24 Allowed 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 t70 60.95 84.29 0.13 Allowed 'General case' 0 C--O 1.222 -0.357 0 O-C-N 125.946 2.029 . . . . 0.0 108.479 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 58.3 82.51 0.23 Allowed Pre-proline 0 CA--C 1.552 1.029 0 CA-C-O 122.622 1.201 . . . . 0.0 112.079 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -70.26 117.82 5.33 Favored 'Trans proline' 0 N--CA 1.445 -1.371 0 N-CA-C 108.957 -1.209 . . . . 0.0 108.957 -177.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.65 -32.23 36.23 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 120.242 -1.536 . . . . 0.0 109.579 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.482 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 4.1 mt-10 -92.48 23.04 4.18 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 120.969 -1.082 . . . . 0.0 110.492 175.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -58.84 -39.16 80.47 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 119.647 -1.908 . . . . 0.0 109.916 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.95 -23.27 67.17 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 114.322 -1.308 . . . . 0.0 111.151 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 15' ' ' GLU . . . -63.05 -44.57 95.49 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 124.587 1.155 . . . . 0.0 110.043 175.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.98 -47.0 64.0 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 122.148 0.975 . . . . 0.0 109.563 178.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.447 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 15.6 m-85 -60.36 -14.39 18.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 122.637 1.208 . . . . 0.0 112.108 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -63.75 -47.27 81.69 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 120.43 -1.419 . . . . 0.0 110.036 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.03 -22.9 52.06 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.656 0.741 . . . . 0.0 110.825 178.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -65.74 -55.97 14.51 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 120.44 -1.413 . . . . 0.0 110.0 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 mt -58.0 -26.85 62.91 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -40.37 96.54 Favored 'General case' 0 CA--C 1.507 -0.709 0 O-C-N 120.015 -1.678 . . . . 0.0 111.702 175.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -55.16 -42.13 72.72 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.185 0.902 . . . . 0.0 109.381 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -62.99 -48.64 77.95 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 122.063 0.935 . . . . 0.0 111.921 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.15 -12.48 16.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.065 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -101.44 21.06 14.82 Favored 'General case' 0 CA--C 1.501 -0.919 0 C-N-CA 125.085 1.354 . . . . 0.0 110.408 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.692 ' O ' HD23 ' A' ' 30' ' ' LEU . 6.6 tt -153.96 20.62 0.51 Allowed 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.712 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -51.85 -53.71 48.23 Favored Pre-proline 0 CA--C 1.553 1.058 0 O-C-N 121.51 -0.744 . . . . 0.0 111.424 174.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.712 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 12.1 Cg_endo -78.02 106.08 2.11 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 121.615 1.543 . . . . 0.0 108.872 -177.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.55 87.53 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 64.21 66.98 0.61 Allowed 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 176.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -94.9 -8.5 36.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 118.911 -0.566 . . . . 0.0 111.197 175.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -158.9 128.46 5.62 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 -172.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.719 0 O-C-N 122.059 -0.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 117.438 -1.268 . . . . 0.0 109.4 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -76.74 -175.49 2.64 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.939 2.426 . . . . 0.0 109.722 171.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t 70.66 162.23 0.24 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -176.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -177.34 85.1 0.25 Allowed Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 125.555 1.542 . . . . 0.0 107.68 173.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -77.55 170.24 19.6 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.242 1.962 . . . . 0.0 109.897 175.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.03 123.71 23.39 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 -177.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -134.87 149.54 70.84 Favored Pre-proline 0 N--CA 1.48 1.07 0 CA-C-N 120.594 1.543 . . . . 0.0 109.303 168.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -74.57 175.61 10.84 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 122.165 1.91 . . . . 0.0 109.556 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.34 89.28 0.88 Allowed Glycine 0 CA--C 1.536 1.403 0 O-C-N 120.912 -1.118 . . . . 0.0 114.093 -171.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -171.18 51.74 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.76 1.224 . . . . 0.0 114.073 -165.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 172.41 -89.82 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 -172.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.485 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -57.86 -50.32 88.79 Favored Pre-proline 0 N--CA 1.45 -0.441 0 C-N-CA 125.699 1.6 . . . . 0.0 112.292 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.485 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 32.9 Cg_endo -80.69 115.84 3.14 Favored 'Trans proline' 0 N--CA 1.446 -1.309 0 C-N-CA 121.194 1.263 . . . . 0.0 108.991 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.51 61.9 0.49 Allowed 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.243 1.417 . . . . 0.0 108.581 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.529 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -86.15 19.8 2.54 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.913 -1.117 . . . . 0.0 112.286 176.575 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -54.84 -59.86 4.15 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 124.922 1.289 . . . . 0.0 107.77 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.6 mt -61.28 -30.2 70.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.236 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 15' ' ' GLU . . . -60.2 -41.85 93.84 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 124.129 0.971 . . . . 0.0 110.819 176.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -64.17 -54.79 28.07 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 118.954 -1.098 . . . . 0.0 110.544 170.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -62.18 -11.32 13.85 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 122.633 1.206 . . . . 0.0 114.1 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -57.38 -47.54 81.39 Favored 'General case' 0 C--N 1.311 -1.092 0 O-C-N 119.451 -2.031 . . . . 0.0 109.107 173.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.52 -24.48 63.7 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.514 -0.741 . . . . 0.0 110.841 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.31 -51.23 66.91 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.445 -0.785 . . . . 0.0 109.51 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mt -58.47 -27.59 64.55 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.622 0.725 . . . . 0.0 110.757 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -41.67 98.21 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 117.534 -1.222 . . . . 0.0 110.915 173.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -55.95 -44.33 78.35 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -176.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -53.55 -48.52 69.04 Favored 'General case' 0 C--N 1.31 -1.148 0 C-N-CA 125.447 1.499 . . . . 0.0 111.962 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.5 mt -77.79 -15.21 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 O-C-N 121.778 -0.576 . . . . 0.0 109.596 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.52 -12.96 61.29 Favored 'General case' 0 CA--C 1.522 -0.1 0 C-N-CA 124.994 1.318 . . . . 0.0 111.278 178.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.34 -5.12 12.98 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 119.575 -0.25 . . . . 0.0 111.123 174.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -163.86 151.18 10.54 Favored Pre-proline 0 CA--C 1.536 0.439 0 O-C-N 120.938 -1.101 . . . . 0.0 110.273 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -69.77 91.89 0.52 Allowed 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.458 2.105 . . . . 0.0 109.143 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 42.59 70.79 0.26 Allowed 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 125.225 1.41 . . . . 0.0 111.012 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.3 pm0 45.37 26.95 0.32 Allowed 'General case' 0 CA--C 1.555 1.158 0 O-C-N 120.548 -1.345 . . . . 0.0 114.309 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 54.04 41.35 32.06 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.544 1.138 . . . . 0.0 113.501 -170.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -167.92 176.21 6.34 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.467 -0.771 . . . . 0.0 111.265 -172.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.128 0 O-C-N 120.487 -1.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 116.766 -1.588 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -75.35 -35.43 2.9 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 123.207 2.605 . . . . 0.0 112.001 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.97 156.82 0.32 Allowed 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 124.738 1.274 . . . . 0.0 110.803 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' CB ' ' HD3' ' A' ' 5' ' ' PRO . 0.2 OUTLIER 176.98 -65.45 0.0 OUTLIER Pre-proline 0 N--CA 1.429 -1.495 0 O-C-N 125.359 1.662 . . . . 0.0 107.81 -176.362 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.403 ' HD3' ' CB ' ' A' ' 4' ' ' LYS . 18.9 Cg_endo -68.67 161.51 45.01 Favored 'Trans proline' 0 C--O 1.218 -0.496 0 O-C-N 124.277 1.672 . . . . 0.0 110.591 -176.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.1 t70 178.53 145.28 0.13 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -170.1 150.01 3.49 Favored Pre-proline 0 CA--C 1.507 -0.681 0 O-C-N 121.36 -0.838 . . . . 0.0 108.895 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -76.49 -56.57 0.05 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.516 2.144 . . . . 0.0 111.322 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.3 151.91 23.97 Favored Glycine 0 N--CA 1.436 -1.34 0 N-CA-C 108.236 -1.945 . . . . 0.0 108.236 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.69 -175.32 4.98 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 117.89 0.845 . . . . 0.0 109.13 177.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.95 22.88 5.29 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.57 1.148 . . . . 0.0 110.515 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -170.77 67.24 0.49 Allowed Pre-proline 0 C--O 1.217 -0.651 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -76.42 149.58 31.24 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 122.425 2.083 . . . . 0.0 111.798 178.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.0 61.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 1.2 mp0 -87.09 18.17 3.78 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 120.969 -1.082 . . . . 0.0 110.146 175.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.98 -57.63 8.09 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 121.11 -0.994 . . . . 0.0 108.695 176.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mt -67.66 -23.12 65.29 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.877 -0.514 . . . . 0.0 110.016 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 15' ' ' GLU . . . -64.55 -43.6 93.46 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 122.909 1.338 . . . . 0.0 108.823 177.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -47.98 64.93 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 119.418 -2.051 . . . . 0.0 111.139 178.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -56.53 -16.67 6.42 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-O 122.564 1.173 . . . . 0.0 113.327 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -64.97 -45.58 85.08 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-O 122.51 1.148 . . . . 0.0 110.821 -177.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 p -55.25 -33.61 63.3 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.006 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.02 -57.56 12.53 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.256 1.027 . . . . 0.0 108.892 -176.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -26.3 62.92 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.856 0.836 . . . . 0.0 109.349 176.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -45.46 87.08 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 117.295 -1.336 . . . . 0.0 110.014 175.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -54.01 -43.1 69.8 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 119.078 0.854 . . . . 0.0 109.414 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -64.1 -47.27 80.67 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 123.128 0.571 . . . . 0.0 112.381 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.7 mt -75.66 -8.69 11.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 123.556 0.535 . . . . 0.0 109.746 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.61 -7.67 59.64 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 120.759 -1.213 . . . . 0.0 108.318 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.11 -2.67 22.37 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -165.64 158.39 13.11 Favored Pre-proline 0 N--CA 1.446 -0.632 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -75.17 123.13 7.57 Favored 'Trans proline' 0 CA--C 1.506 -0.877 1 C-N-CA 125.845 4.363 . . . . 0.0 111.608 176.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.16 81.13 1.78 Allowed 'General case' 0 N--CA 1.438 -1.034 0 O-C-N 121.254 -0.904 . . . . 0.0 109.068 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -169.55 77.01 0.1 Allowed 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 174.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -123.44 54.11 1.3 Allowed 'General case' 0 C--O 1.222 -0.391 0 CA-C-O 117.855 -1.069 . . . . 0.0 109.789 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.9 t80 57.92 82.54 0.13 Allowed 'General case' 0 N--CA 1.424 -1.739 0 CA-C-O 124.947 2.308 . . . . 0.0 113.609 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.071 0 O-C-N 117.766 -3.084 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.21 -1.016 0 CA-C-O 116.273 -1.822 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -74.3 169.3 22.8 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 C-N-CA 121.662 1.575 . . . . 0.0 108.615 -176.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -149.9 108.85 3.88 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.37 73.14 8.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 172.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -76.56 58.27 5.8 Favored 'Trans proline' 0 N--CA 1.449 -1.119 0 C-N-CA 122.576 2.184 . . . . 0.0 110.794 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -105.9 -59.88 1.71 Allowed 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 53.47 82.79 0.24 Allowed Pre-proline 0 N--CA 1.474 0.739 0 CA-C-O 122.16 0.981 . . . . 0.0 113.516 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -71.44 163.36 39.31 Favored 'Trans proline' 0 N--CA 1.445 -1.329 0 O-C-N 119.497 -0.844 . . . . 0.0 110.12 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.18 95.26 1.92 Allowed Glycine 0 C--O 1.227 -0.339 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -171.05 51.91 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.91 85.98 0.07 Allowed 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.662 0.744 . . . . 0.0 110.735 177.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 48.36 67.69 4.25 Favored Pre-proline 0 CA--C 1.551 1.009 0 O-C-N 120.707 -1.245 . . . . 0.0 111.871 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -71.42 173.57 12.21 Favored 'Trans proline' 0 N--CA 1.445 -1.348 0 CA-C-O 122.244 0.852 . . . . 0.0 110.055 -175.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.75 -19.69 61.99 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.31 -0.869 . . . . 0.0 111.181 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -84.99 20.39 1.88 Allowed 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.73 0.812 . . . . 0.0 111.133 176.024 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -57.02 -56.37 22.67 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 123.551 1.643 . . . . 0.0 107.912 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.4 mt -64.82 -21.24 66.74 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.272 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 15' ' ' GLU . . . -62.68 -44.72 95.54 Favored 'General case' 0 CA--C 1.52 -0.179 0 O-C-N 121.122 -0.986 . . . . 0.0 111.008 175.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -68.06 -47.82 67.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.416 -0.803 . . . . 0.0 110.36 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.478 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 7.0 t80 -60.48 -13.77 15.64 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 123.833 1.778 . . . . 0.0 112.628 178.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -64.57 -46.72 81.56 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 120.124 -1.61 . . . . 0.0 110.318 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.09 -24.83 18.94 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.512 -0.875 . . . . 0.0 111.088 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -62.09 -58.14 8.95 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 118.823 -0.608 . . . . 0.0 109.439 177.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.84 -28.9 1.72 Allowed 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 122.783 1.278 . . . . 0.0 110.48 177.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -62.41 -54.94 32.96 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 120.523 -1.36 . . . . 0.0 109.773 176.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -53.44 -40.27 65.07 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 118.967 0.803 . . . . 0.0 109.025 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.05 -47.32 81.23 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 122.447 1.118 . . . . 0.0 112.325 173.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.8 mt -81.83 -11.06 12.33 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 C-N-CA 116.411 -2.116 . . . . 0.0 108.267 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -93.01 -1.96 56.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 119.525 -1.984 . . . . 0.0 109.792 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.05 1.32 18.32 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.419 0.688 . . . . 0.0 109.902 177.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.598 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -55.63 168.19 0.66 Allowed Pre-proline 0 N--CA 1.447 -0.582 0 O-C-N 121.705 -0.622 . . . . 0.0 109.905 177.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.598 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 20.9 Cg_endo -74.53 66.24 5.58 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 121.85 1.7 . . . . 0.0 110.706 -178.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.87 174.9 9.52 Favored 'General case' 0 N--CA 1.441 -0.918 0 O-C-N 120.28 -1.512 . . . . 0.0 109.959 177.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -144.22 64.87 1.3 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 176.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 3.0 ptm180 -118.23 63.56 0.76 Allowed 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 176.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -176.58 119.3 0.13 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 102.936 -2.987 . . . . 0.0 102.936 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.718 0 O-C-N 122.078 -0.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 6.2 p90 . . . . . 0 N--CA 1.47 0.573 0 CA-C-O 117.613 -1.184 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -78.19 -54.37 0.05 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.316 2.011 . . . . 0.0 110.608 176.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.23 121.35 1.68 Allowed 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 116.838 -1.553 . . . . 0.0 107.941 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 171.99 88.37 0.04 OUTLIER Pre-proline 0 C--O 1.22 -0.478 0 O-C-N 125.524 1.765 . . . . 0.0 108.503 179.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -75.36 170.42 20.35 Favored 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 122.107 1.871 . . . . 0.0 109.974 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.02 -62.13 1.79 Allowed 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 -179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 164.15 -56.38 0.0 OUTLIER Pre-proline 0 C--O 1.213 -0.857 0 CA-C-O 115.966 -1.969 . . . . 0.0 106.031 -171.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -75.3 165.26 31.22 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.437 2.091 . . . . 0.0 109.872 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.37 -156.47 27.28 Favored Glycine 0 CA--C 1.521 0.412 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 59.64 72.15 0.54 Allowed 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 122.249 1.023 . . . . 0.0 109.481 176.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -175.33 98.1 0.08 Allowed 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 37.47 61.85 3.79 Favored Pre-proline 0 CA--C 1.549 0.935 0 CA-C-O 121.804 0.812 . . . . 0.0 112.055 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -75.34 142.96 27.47 Favored 'Trans proline' 0 N--CA 1.441 -1.588 0 C-N-CA 121.169 1.246 . . . . 0.0 108.89 -175.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -176.52 63.68 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -176.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -147.48 23.7 1.13 Allowed 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 121.651 -0.656 . . . . 0.0 110.896 172.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 176.73 -40.49 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 176.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mt -73.55 -32.4 64.16 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.42 -51.59 55.38 Favored 'General case' 0 CA--C 1.52 -0.18 0 O-C-N 121.737 -0.602 . . . . 0.0 110.691 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? -63.53 -46.24 86.91 Favored 'General case' 0 C--O 1.248 1.021 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 176.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.489 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 28.0 t80 -63.36 -13.02 34.76 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-O 124.178 1.942 . . . . 0.0 112.642 -174.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -58.38 -51.6 69.15 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 114.245 -1.343 . . . . 0.0 113.563 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.7 -24.68 58.02 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.762 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -65.77 -58.57 5.35 Favored 'General case' 0 N--CA 1.439 -0.983 0 O-C-N 121.603 -0.686 . . . . 0.0 110.902 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.18 -24.99 29.68 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.284 0.564 . . . . 0.0 109.762 177.175 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 mtt85 -63.5 -47.42 81.77 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.092 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -54.19 -44.79 71.86 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 118.586 0.63 . . . . 0.0 109.613 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -66.24 -45.59 80.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.969 0.89 . . . . 0.0 111.441 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.0 mt -69.49 -11.87 15.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 121.823 -0.548 . . . . 0.0 110.271 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -101.48 23.64 10.82 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 123.926 0.891 . . . . 0.0 109.524 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.96 35.31 0.39 Allowed 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -171.32 155.17 4.15 Favored Pre-proline 0 N--CA 1.447 -0.589 0 O-C-N 121.594 -0.692 . . . . 0.0 109.391 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -74.97 121.2 6.44 Favored 'Trans proline' 0 N--CA 1.441 -1.572 0 N-CA-C 107.197 -1.886 . . . . 0.0 107.197 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 69.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.319 1.048 . . . . 0.0 110.037 177.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.17 54.27 1.46 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 -177.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.5 mtp85 -76.76 2.51 14.17 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 118.434 -1.306 . . . . 0.0 113.457 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -118.07 20.74 13.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 123.322 1.534 . . . . 0.0 109.313 -170.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.84 0 O-C-N 120.327 -1.483 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.541 ' CZ ' ' HB3' ' A' ' 3' ' ' SER . 1.2 p90 . . . . . 0 CA--C 1.541 0.601 0 CA-C-O 116.216 -1.85 . . . . 0.0 107.462 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -79.59 103.38 1.59 Allowed 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 124.663 3.575 . . . . 0.0 112.272 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 1' ' ' TYR . 8.5 p -109.11 143.24 38.73 Favored 'General case' 0 CA--C 1.508 -0.641 0 O-C-N 120.774 -1.204 . . . . 0.0 108.133 -178.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.06 152.46 21.53 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-O 118.382 -0.818 . . . . 0.0 112.693 175.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -70.16 161.65 45.2 Favored 'Trans proline' 0 N--CA 1.44 -1.666 0 C-N-CA 123.258 2.639 . . . . 0.0 109.212 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -107.54 -59.0 1.89 Allowed 'General case' 0 N--CA 1.432 -1.334 0 CA-C-N 113.223 -1.808 . . . . 0.0 108.83 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -35.91 100.06 0.19 Allowed Pre-proline 0 N--CA 1.465 0.308 0 C-N-CA 127.082 2.153 . . . . 0.0 109.505 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -78.76 72.19 6.56 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 121.901 1.734 . . . . 0.0 109.776 -175.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.18 152.85 24.05 Favored Glycine 0 N--CA 1.432 -1.585 0 N-CA-C 107.16 -2.376 . . . . 0.0 107.16 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 59.77 175.12 0.08 Allowed 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.778 1.231 . . . . 0.0 108.682 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 t0 78.52 -62.63 0.33 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.18 -0.918 . . . . 0.0 108.534 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.66 75.19 0.38 Allowed Pre-proline 0 N--CA 1.434 -1.273 0 C-N-CA 127.988 2.515 . . . . 0.0 109.089 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -73.1 152.37 50.9 Favored 'Trans proline' 0 N--CA 1.444 -1.436 0 C-N-CA 121.806 1.671 . . . . 0.0 108.563 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 70.55 48.47 0.45 Allowed 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -135.45 19.87 3.36 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.921 0.867 . . . . 0.0 113.19 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.15 -71.12 0.19 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 124.333 2.016 . . . . 0.0 109.889 -177.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.56 -15.11 63.17 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 113.197 -1.819 . . . . 0.0 111.404 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.01 97.43 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.167 0.987 . . . . 0.0 110.163 177.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -68.8 -48.72 62.88 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 122.243 1.021 . . . . 0.0 109.735 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.442 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 7.8 t80 -66.28 -10.51 43.18 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.528 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.35 -49.35 74.65 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 123.356 1.55 . . . . 0.0 111.224 173.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -57.85 -25.29 60.5 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 113.758 -1.565 . . . . 0.0 109.409 -175.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -60.27 -56.63 19.13 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.011 -1.056 . . . . 0.0 110.417 176.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.33 -30.01 64.44 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.318 -0.864 . . . . 0.0 109.377 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.64 -39.45 91.37 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 121.3 -0.875 . . . . 0.0 111.068 176.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -54.87 -51.05 67.17 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 118.848 0.749 . . . . 0.0 110.321 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -57.78 -48.0 80.94 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.037 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.1 mt -68.31 -14.1 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 O-C-N 121.795 -0.566 . . . . 0.0 110.616 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -97.05 12.84 31.14 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 125.348 1.459 . . . . 0.0 110.476 177.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 tt -154.67 47.17 0.56 Allowed 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.872 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -61.1 178.86 0.25 Allowed Pre-proline 0 N--CA 1.444 -0.752 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.853 174.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.872 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 27.0 Cg_endo -71.47 -164.26 0.15 Allowed 'Trans proline' 0 N--CA 1.442 -1.522 0 C-N-CA 121.536 1.491 . . . . 0.0 110.173 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.22 123.32 49.27 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 124.07 0.948 . . . . 0.0 110.089 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 44.98 33.72 1.09 Allowed 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 123.846 0.858 . . . . 0.0 110.879 -178.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 41.08 51.0 3.31 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 118.789 0.722 . . . . 0.0 110.782 -173.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.5 t80 177.84 -72.86 0.01 OUTLIER 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.751 0 O-C-N 120.6 -1.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 117.635 -1.174 . . . . 0.0 109.71 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -72.09 89.49 0.78 Allowed 'Trans proline' 0 N--CA 1.441 -1.596 0 C-N-CA 124.336 3.358 . . . . 0.0 108.266 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -124.53 -53.17 1.69 Allowed 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 123.769 0.828 . . . . 0.0 109.263 175.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.98 94.09 0.05 OUTLIER Pre-proline 0 CA--C 1.547 0.865 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 -175.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -78.49 -176.44 3.27 Favored 'Trans proline' 0 N--CA 1.441 -1.618 0 C-N-CA 121.502 1.468 . . . . 0.0 109.372 174.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 63.19 108.33 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 124.929 1.393 . . . . 0.0 110.492 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -113.16 129.65 24.35 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.684 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -71.29 131.57 19.34 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 122.555 2.17 . . . . 0.0 110.917 175.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.97 150.83 23.16 Favored Glycine 0 CA--C 1.533 1.176 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 176.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -117.56 164.17 15.33 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.9 0.88 . . . . 0.0 109.07 176.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -34.38 -44.17 0.18 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.328 1.451 . . . . 0.0 111.296 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 178.81 91.02 0.17 Allowed Pre-proline 0 CA--C 1.538 0.492 0 C-N-CA 124.844 1.258 . . . . 0.0 109.367 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -73.11 -178.82 3.81 Favored 'Trans proline' 0 N--CA 1.44 -1.65 0 C-N-CA 122.142 1.895 . . . . 0.0 112.903 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.51 87.78 Favored 'General case' 0 CA--C 1.529 0.144 0 O-C-N 120.77 -1.206 . . . . 0.0 110.678 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.7 17.8 3.76 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.194 175.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -45.8 -49.57 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 119.612 1.096 . . . . 0.0 109.994 175.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.45 ' HA ' ' CE2' ' A' ' 20' ' ' TYR . 61.6 mt -73.12 -47.21 46.13 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.106 -177.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.25 -21.52 9.34 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 122.983 0.513 . . . . 0.0 111.543 176.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -67.78 0.41 Allowed 'General case' 0 C--O 1.197 -1.671 0 CA-C-O 125.615 2.626 . . . . 0.0 107.316 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.498 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -66.73 -11.94 56.62 Favored 'General case' 0 C--N 1.391 2.373 0 CA-C-O 116.242 -1.837 . . . . 0.0 107.9 -173.071 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.1 -48.89 78.78 Favored 'General case' 0 C--O 1.202 -1.41 0 CA-C-O 126.211 2.91 . . . . 0.0 109.723 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.28 -31.87 45.91 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-N 113.542 -1.663 . . . . 0.0 110.362 178.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -59.46 -46.62 88.26 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 119.32 -2.112 . . . . 0.0 110.45 177.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.7 mt -62.68 -26.02 68.44 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.588 -0.695 . . . . 0.0 110.207 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -64.8 -37.37 87.39 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.353 -0.842 . . . . 0.0 110.866 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -53.93 -39.1 65.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 119.315 0.961 . . . . 0.0 110.05 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -60.76 -39.73 89.86 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 122.993 0.517 . . . . 0.0 111.062 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.6 mm -88.95 -10.04 10.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.797 0.808 . . . . 0.0 110.539 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -83.25 -2.77 56.43 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.232 1.413 . . . . 0.0 109.194 175.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.0 mt -74.83 1.63 12.14 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 172.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.51 157.36 5.12 Favored Pre-proline 0 CA--C 1.546 0.82 0 O-C-N 119.918 -1.739 . . . . 0.0 111.251 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -80.15 63.17 8.72 Favored 'Trans proline' 0 N--CA 1.442 -1.532 0 C-N-CA 123.724 2.95 . . . . 0.0 107.374 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -149.96 168.52 23.59 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.278 1.031 . . . . 0.0 108.808 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -129.81 46.32 2.66 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 121.075 0.464 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -103.59 54.88 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 120.952 -1.092 . . . . 0.0 108.356 -177.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -150.32 -50.39 0.13 Allowed 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.149 -0.478 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.209 -1.044 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -79.08 107.42 2.22 Favored 'Trans proline' 0 N--CA 1.44 -1.647 0 N-CA-C 107.398 -1.809 . . . . 0.0 107.398 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.26 141.3 30.53 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.409 -0.805 . . . . 0.0 109.422 173.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.12 68.97 81.69 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 118.78 0.718 . . . . 0.0 109.819 171.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -69.96 164.3 35.23 Favored 'Trans proline' 0 N--CA 1.449 -1.14 0 C-N-CA 121.133 1.222 . . . . 0.0 109.139 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -124.91 143.8 50.67 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.238 1.815 . . . . 0.0 107.905 177.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -174.19 91.24 0.33 Allowed Pre-proline 0 CA--C 1.531 0.227 0 C-N-CA 123.953 0.901 . . . . 0.0 109.781 174.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -70.7 154.99 63.69 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.54 2.16 . . . . 0.0 110.244 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.1 132.81 11.07 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 175.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -159.67 93.34 1.09 Allowed 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 117.84 -1.076 . . . . 0.0 110.889 165.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 50.6 t0 37.86 68.87 0.27 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.638 1.575 . . . . 0.0 114.467 176.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.653 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -179.48 -57.48 0.0 OUTLIER Pre-proline 0 C--O 1.214 -0.789 0 O-C-N 121.293 -0.879 . . . . 0.0 108.763 -167.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.653 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 35.3 Cg_endo -82.59 179.11 5.6 Favored 'Trans proline' 0 CA--C 1.533 0.475 0 C-N-CA 122.148 1.898 . . . . 0.0 111.363 177.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.85 61.5 0.07 Allowed 'General case' 0 N--CA 1.441 -0.875 0 CA-C-O 122.461 1.124 . . . . 0.0 108.084 -175.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.527 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 1.1 mt-10 -88.73 25.82 1.66 Allowed 'General case' 0 C--N 1.33 -0.251 0 O-C-N 120.518 -1.364 . . . . 0.0 111.484 172.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.35 -53.17 58.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 120.658 -1.276 . . . . 0.0 109.059 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.81 -24.48 65.86 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.086 176.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 15' ' ' GLU . . . -62.89 -42.88 99.93 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.724 -0.61 . . . . 0.0 111.366 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.34 -46.18 64.66 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 122.667 1.222 . . . . 0.0 109.169 177.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -58.93 -16.89 19.96 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 176.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.645 ' HA ' HD23 ' A' ' 24' ' ' LEU . 7.3 t80 -61.51 -52.28 65.13 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 124.761 1.224 . . . . 0.0 109.444 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -38.71 85.18 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.154 -0.967 . . . . 0.0 110.489 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.15 -51.84 68.27 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 119.127 -0.463 . . . . 0.0 110.945 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.645 HD23 ' HA ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -59.29 -26.64 65.14 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.734 1.254 . . . . 0.0 109.947 175.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -63.79 -31.5 72.7 Favored 'General case' 0 N--CA 1.44 -0.928 0 O-C-N 120.126 -1.609 . . . . 0.0 110.802 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -53.92 -34.5 59.77 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.77 0.714 . . . . 0.0 110.927 176.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -65.08 -61.22 2.27 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 122.369 1.08 . . . . 0.0 108.842 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.9 mt -60.54 -23.47 28.61 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 O-C-N 121.114 -0.991 . . . . 0.0 111.262 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -71.12 -17.99 62.54 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 121.101 -0.999 . . . . 0.0 112.614 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 tp -67.95 -3.86 11.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.452 -0.78 . . . . 0.0 111.726 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -163.43 85.56 1.32 Allowed Pre-proline 0 N--CA 1.449 -0.509 0 O-C-N 120.875 -1.14 . . . . 0.0 109.731 176.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.12 116.74 3.77 Favored 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 122.184 1.923 . . . . 0.0 107.653 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.44 100.99 0.9 Allowed 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 172.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.48 79.01 0.05 OUTLIER 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 122.961 0.504 . . . . 0.0 109.772 172.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -136.48 66.6 1.48 Allowed 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -171.98 -49.36 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.035 0 CA-C-N 117.757 0.253 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 . . . . . 0 CA--C 1.502 -0.889 0 CA-C-O 115.142 -2.361 . . . . 0.0 107.563 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -78.22 -1.06 11.25 Favored 'Trans proline' 0 N--CA 1.442 -1.53 0 O-C-N 126.494 2.839 . . . . 0.0 112.213 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.62 123.96 28.94 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 106.182 -1.785 . . . . 0.0 106.182 177.086 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -172.52 158.74 3.9 Favored Pre-proline 0 N--CA 1.45 -0.471 0 C-N-CA 124.351 1.061 . . . . 0.0 109.278 177.059 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -76.42 176.24 10.32 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 122.943 2.429 . . . . 0.0 109.829 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.09 100.55 2.93 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 -177.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 160.63 -54.9 0.0 OUTLIER Pre-proline 0 C--O 1.222 -0.363 0 C-N-CA 124.635 1.174 . . . . 0.0 108.44 -175.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -77.36 163.99 29.36 Favored 'Trans proline' 0 N--CA 1.443 -1.472 0 CA-C-O 122.753 1.064 . . . . 0.0 109.63 -176.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.74 65.47 1.34 Allowed Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 114.97 -1.014 . . . . 0.0 113.757 -177.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 179.54 51.97 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.406 0.622 . . . . 0.0 109.99 -177.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 176.64 -50.84 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.128 0 CA-C-O 117.801 -1.095 . . . . 0.0 110.404 -176.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 175.61 72.92 0.07 OUTLIER Pre-proline 0 N--CA 1.45 -0.458 0 C-N-CA 126.812 2.045 . . . . 0.0 111.083 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -77.25 146.6 25.23 Favored 'Trans proline' 0 N--CA 1.445 -1.37 0 C-N-CA 123.045 2.497 . . . . 0.0 108.878 -177.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.66 57.41 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.571 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 2.0 mp0 -94.07 19.77 8.77 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 122.182 0.991 . . . . 0.0 110.124 178.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.08 -54.39 45.31 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 120.249 -1.532 . . . . 0.0 108.134 -179.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.3 mt -66.59 -21.46 66.14 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.583 -1.19 . . . . 0.0 110.063 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 15' ' ' GLU . . . -62.23 -48.76 78.56 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.464 0.706 . . . . 0.0 109.336 175.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -66.53 -47.84 71.63 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 120.712 -1.243 . . . . 0.0 109.969 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.435 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 20.9 t80 -56.85 -16.81 7.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.577 1.18 . . . . 0.0 112.989 176.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -65.5 -45.59 82.99 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 122.439 1.114 . . . . 0.0 109.248 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.7 t -60.67 -30.34 69.84 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 120.84 -1.162 . . . . 0.0 109.986 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -62.37 -42.52 99.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 121.713 -0.617 . . . . 0.0 110.089 176.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.645 HD11 HD11 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -59.4 -29.88 68.05 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 123.61 1.672 . . . . 0.0 109.661 176.323 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -40.05 93.58 Favored 'General case' 0 N--CA 1.444 -0.728 0 O-C-N 119.613 -1.93 . . . . 0.0 110.026 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -54.62 -40.52 68.99 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 123.616 0.572 . . . . 0.0 110.12 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.61 -48.97 67.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 122.01 0.91 . . . . 0.0 110.987 178.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.645 HD11 HD11 ' A' ' 24' ' ' LEU . 97.4 mt -63.76 -18.24 21.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 120.599 -1.313 . . . . 0.0 109.996 178.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.21 1.13 57.22 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 120.735 -1.228 . . . . 0.0 112.689 174.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.552 ' O ' HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -68.8 -25.92 64.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 123.539 1.638 . . . . 0.0 109.099 179.38 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.21 154.96 0.57 Allowed Pre-proline 0 C--N 1.322 -0.605 0 O-C-N 120.71 -1.244 . . . . 0.0 111.295 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -73.87 59.27 4.25 Favored 'Trans proline' 0 N--CA 1.449 -1.118 0 C-N-CA 121.625 1.55 . . . . 0.0 109.948 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.07 176.96 4.45 Favored 'General case' 0 N--CA 1.434 -1.259 0 O-C-N 120.588 -1.32 . . . . 0.0 108.64 177.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.39 42.01 3.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 173.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 38.92 48.67 1.43 Allowed 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.358 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.4 t80 175.47 -49.65 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.118 0 CA-C-O 122.836 1.303 . . . . 0.0 109.631 -174.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.601 0 O-C-N 119.612 -1.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 117.448 -1.263 . . . . 0.0 109.931 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -73.89 -64.98 0.03 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.624 2.883 . . . . 0.0 106.985 -177.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 p -168.37 137.19 2.31 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -138.74 67.78 43.31 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 174.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -73.62 -19.51 21.4 Favored 'Trans proline' 0 N--CA 1.429 -2.271 0 CA-C-O 116.317 -1.618 . . . . 0.0 111.969 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 66.05 107.83 0.04 OUTLIER 'General case' 0 C--N 1.344 0.329 0 O-C-N 125.772 1.92 . . . . 0.0 108.574 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -100.72 136.96 19.74 Favored Pre-proline 0 C--O 1.244 0.794 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -79.6 -43.99 0.13 Allowed 'Trans proline' 0 N--CA 1.439 -1.733 0 N-CA-C 110.254 -0.71 . . . . 0.0 110.254 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.17 -127.27 1.85 Allowed Glycine 0 CA--C 1.511 -0.211 0 N-CA-C 107.853 -2.099 . . . . 0.0 107.853 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 62.85 162.21 0.09 Allowed 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 126.212 1.772 . . . . 0.0 109.65 -176.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 55.1 92.8 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.583 0 O-C-N 124.221 0.951 . . . . 0.0 110.13 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 44.58 72.25 1.27 Allowed Pre-proline 0 CA--C 1.546 0.794 0 CA-C-O 123.183 1.468 . . . . 0.0 109.885 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.535 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 11.7 Cg_endo -77.13 173.36 14.53 Favored 'Trans proline' 0 N--CA 1.442 -1.531 0 N-CA-C 108.69 -1.312 . . . . 0.0 108.69 -176.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 13' ' ' PRO . . . 77.22 53.38 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 122.908 1.337 . . . . 0.0 109.317 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.72 19.6 14.5 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 120.788 -1.195 . . . . 0.0 108.346 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -55.95 -33.93 65.21 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 120.34 -1.475 . . . . 0.0 110.327 174.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 20' ' ' TYR . 57.4 tp -71.03 -16.75 62.63 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-O 117.654 -1.165 . . . . 0.0 109.116 -177.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.92 -32.11 3.6 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.947 0.899 . . . . 0.0 110.601 174.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -65.29 0.69 Allowed 'General case' 0 N--CA 1.439 -1.002 0 O-C-N 121.722 -0.612 . . . . 0.0 109.415 176.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.71 ' HB2' HD12 ' A' ' 17' ' ' LEU . 55.2 m-85 -62.38 -17.53 59.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 123.773 1.749 . . . . 0.0 112.731 -178.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -48.8 -53.67 18.26 Favored 'General case' 0 C--N 1.312 -1.036 0 O-C-N 118.596 -2.565 . . . . 0.0 113.106 166.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t -59.51 -24.76 63.91 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -175.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.03 -51.58 60.78 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 122.424 0.289 . . . . 0.0 111.247 178.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mt -56.26 -24.48 43.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -45.44 90.84 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.874 175.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -57.27 -44.04 83.61 Favored 'General case' 0 C--O 1.226 -0.162 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -66.23 -47.08 74.96 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.98 0.895 . . . . 0.0 111.123 177.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.8 mt -67.05 -12.53 15.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 121.603 -0.686 . . . . 0.0 109.876 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -101.68 23.77 10.79 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 124.339 1.056 . . . . 0.0 110.599 176.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -154.3 33.49 0.42 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 123.563 1.649 . . . . 0.0 107.339 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -174.26 163.96 2.73 Favored Pre-proline 0 N--CA 1.445 -0.695 0 O-C-N 119.55 -1.969 . . . . 0.0 109.024 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 13.9 Cg_endo -75.25 125.52 9.21 Favored 'Trans proline' 0 N--CA 1.445 -1.353 0 C-N-CA 122.147 1.898 . . . . 0.0 109.628 -178.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -23.69 54.07 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.379 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -126.28 53.49 1.63 Allowed 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.29 -9.32 31.66 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 118.562 -0.732 . . . . 0.0 110.8 175.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -166.96 86.77 0.28 Allowed 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -173.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.782 0 O-C-N 120.414 -1.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.556 0 N-CA-C 104.478 -2.415 . . . . 0.0 104.478 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -78.13 -179.97 5.94 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 123.002 2.468 . . . . 0.0 109.976 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 p -174.57 141.4 0.67 Allowed 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 175.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -138.25 84.84 19.43 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -70.43 159.25 53.53 Favored 'Trans proline' 0 N--CA 1.444 -1.407 0 C-N-CA 122.169 1.913 . . . . 0.0 110.518 177.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -168.45 -58.52 0.02 OUTLIER 'General case' 0 C--O 1.231 0.086 0 O-C-N 124.631 1.207 . . . . 0.0 108.686 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 50.11 85.17 0.19 Allowed Pre-proline 0 C--N 1.332 -0.159 0 C-N-CA 124.58 1.152 . . . . 0.0 110.019 -178.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -69.23 -41.03 5.34 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 121.605 1.537 . . . . 0.0 110.64 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.83 91.05 0.22 Allowed Glycine 0 N--CA 1.433 -1.512 0 N-CA-C 108.05 -2.02 . . . . 0.0 108.05 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 167.82 161.38 0.04 OUTLIER 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 174.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 53.21 -179.41 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 125.129 1.518 . . . . 0.0 110.295 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.84 106.16 0.63 Allowed Pre-proline 0 C--O 1.239 0.541 0 C-N-CA 123.025 0.53 . . . . 0.0 110.75 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.89 -171.19 0.91 Allowed 'Trans proline' 0 N--CA 1.441 -1.579 0 C-N-CA 122.607 2.205 . . . . 0.0 108.523 -174.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.5 7.17 3.85 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.12 176.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.12 17.73 3.45 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.065 0.946 . . . . 0.0 111.505 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -175.27 -44.04 0.01 OUTLIER 'General case' 0 C--O 1.238 0.496 0 CA-C-O 123.699 1.714 . . . . 0.0 108.913 -178.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.7 tp -63.43 -25.56 68.33 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.448 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.5 -29.58 6.97 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.594 0.758 . . . . 0.0 109.873 176.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -71.46 0.18 Allowed 'General case' 0 C--O 1.266 1.936 0 CA-C-O 125.755 2.693 . . . . 0.0 107.482 172.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.561 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 49.7 t80 -60.76 -14.58 22.27 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 118.132 -2.855 . . . . 0.0 113.981 -174.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -53.26 -54.11 41.06 Favored 'General case' 0 N--CA 1.416 -2.146 0 O-C-N 125.816 1.947 . . . . 0.0 109.411 171.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -30.33 62.08 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.317 -175.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -54.29 -52.5 61.26 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 121.897 0.855 . . . . 0.0 112.609 178.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mt -53.98 -27.03 28.92 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.864 177.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.07 -47.31 85.26 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 118.862 -0.589 . . . . 0.0 110.591 174.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -53.86 -43.09 69.24 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 118.391 0.541 . . . . 0.0 109.673 -177.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -62.73 -44.18 96.89 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.188 0.518 . . . . 0.0 110.719 176.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.6 mt -74.83 -11.02 14.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 O-C-N 121.694 -0.629 . . . . 0.0 110.105 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -104.4 13.77 31.35 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.157 1.383 . . . . 0.0 109.324 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.476 ' O ' HD23 ' A' ' 30' ' ' LEU . 3.4 tt -154.33 39.61 0.46 Allowed 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -170.22 155.28 5.22 Favored Pre-proline 0 N--CA 1.447 -0.608 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.81 125.63 9.55 Favored 'Trans proline' 0 N--CA 1.44 -1.636 0 C-N-CA 122.01 1.807 . . . . 0.0 109.736 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -45.0 -56.35 4.71 Favored 'General case' 0 C--O 1.225 -0.188 0 O-C-N 124.052 0.845 . . . . 0.0 110.705 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -129.44 51.78 2.03 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.02 33.14 3.26 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 178.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -175.31 -53.28 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 123.332 1.539 . . . . 0.0 107.442 -172.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 O-C-N 121.22 -0.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.839 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.846 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -85.95 155.63 9.98 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 N-CA-C 107.767 -1.667 . . . . 0.0 107.767 -171.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -120.19 141.47 49.87 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 -177.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -54.28 153.27 9.97 Favored Pre-proline 0 N--CA 1.436 -1.167 0 CA-C-N 113.652 -1.613 . . . . 0.0 111.057 177.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -74.09 -15.59 23.09 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 122.68 2.253 . . . . 0.0 112.582 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -56.37 126.19 25.26 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 125.067 1.347 . . . . 0.0 111.321 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 158.52 -56.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 C-N-CA 127.983 2.513 . . . . 0.0 110.644 -171.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -73.85 173.45 13.97 Favored 'Trans proline' 0 N--CA 1.445 -1.373 0 C-N-CA 122.897 2.398 . . . . 0.0 110.43 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.92 -45.75 1.19 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 177.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.06 167.12 0.13 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.177 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -37.21 -52.68 1.05 Allowed 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 122.793 1.282 . . . . 0.0 111.312 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.78 107.86 0.74 Allowed Pre-proline 0 N--CA 1.425 -1.69 0 N-CA-C 105.088 -2.19 . . . . 0.0 105.088 174.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -81.94 1.36 9.27 Favored 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 122.739 2.293 . . . . 0.0 112.684 174.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.8 54.97 2.17 Favored 'General case' 0 CA--C 1.498 -1.026 0 C-N-CA 125.628 1.571 . . . . 0.0 108.448 -168.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . 0.282 0.0 OUTLIER -83.57 6.99 18.62 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 120.758 -1.214 . . . . 0.0 112.865 174.344 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.09 -70.32 0.12 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 123.29 1.519 . . . . 0.0 109.734 -169.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 pp -65.41 -21.38 66.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 113.205 -1.816 . . . . 0.0 110.76 175.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.66 93.1 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.028 1.286 . . . . 0.0 110.465 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -66.85 -51.31 57.03 Favored 'General case' 0 C--O 1.247 0.961 0 O-C-N 120.567 -1.333 . . . . 0.0 109.423 175.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.418 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 24.9 t80 -64.35 -11.41 32.09 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 121.779 0.8 . . . . 0.0 112.299 -178.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -57.41 -53.38 58.77 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 124.278 1.99 . . . . 0.0 109.853 174.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.0 -26.38 64.46 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 113.524 -1.671 . . . . 0.0 110.631 -175.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -65.76 -52.7 48.88 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.24 0.616 . . . . 0.0 111.136 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.406 HD11 ' CE2' ' A' ' 20' ' ' TYR . 1.4 mt -51.55 -35.48 41.05 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 174.004 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -59.25 -57.78 11.5 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-O 117.773 -1.108 . . . . 0.0 110.137 174.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -54.12 -41.85 68.8 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 119.23 0.923 . . . . 0.0 108.652 -174.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -60.37 -36.41 77.98 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.4 mt -86.64 -19.91 7.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 O-C-N 120.099 -1.625 . . . . 0.0 110.855 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.88 -8.95 59.07 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 126.502 1.921 . . . . 0.0 112.536 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.2 mp -69.35 -7.64 39.17 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.999 172.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.67 149.2 0.64 Allowed Pre-proline 0 CA--C 1.541 0.628 0 CA-C-O 118.119 -0.943 . . . . 0.0 110.924 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -72.76 63.32 3.9 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 124.548 3.499 . . . . 0.0 110.132 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? 58.06 109.18 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 125.723 1.609 . . . . 0.0 111.388 -176.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -155.0 63.11 0.64 Allowed 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 118.473 -1.291 . . . . 0.0 108.009 177.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.63 -5.61 12.17 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 114.645 -1.161 . . . . 0.0 113.935 176.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -103.78 -12.3 17.03 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 126.157 1.783 . . . . 0.0 107.945 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.562 0 O-C-N 119.415 -2.053 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.478 0.18 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 70.65 5.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.502 1.791 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 p -99.74 -51.64 3.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.991 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -128.22 86.41 58.02 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -4.12 14.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.557 1.819 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 49.4 -174.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -128.68 96.0 30.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -58.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.802 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.35 126.97 1.25 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 111.062 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -176.52 130.65 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.293 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 57.44 172.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.06 109.69 1.91 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 161.15 39.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.6 59.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.239 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -97.19 17.92 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.14 -52.0 67.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.524 ' HA ' ' CD2' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -74.8 -31.29 61.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.35 -21.0 61.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.448 ' C ' ' NH1' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -69.01 -72.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.572 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -57.25 -15.65 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.497 ' HA ' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -65.29 -40.86 94.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -22.53 67.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.025 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -64.73 -51.25 63.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.634 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -58.39 -20.99 48.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.66 -46.14 59.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -55.71 -44.68 77.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.623 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -68.85 -36.54 78.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.634 HD12 ' O ' ' A' ' 24' ' ' LEU . 29.4 mt -75.15 -11.95 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.31 17.86 19.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -155.84 40.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -178.04 156.47 1.07 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 112.88 3.66 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.83 142.35 8.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 74.88 78.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -112.58 -95.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.24 92.03 8.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 116.748 -1.596 . . . . 0.0 113.361 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -79.39 -71.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.562 0 CA-C-N 121.763 1.665 . . . . 0.0 108.315 -172.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t 46.86 55.55 7.74 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.504 1.522 . . . . 0.0 111.061 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.57 -56.83 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.509 0 C-N-CA 124.505 1.122 . . . . 0.0 112.101 -172.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -77.11 147.65 26.64 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.564 2.843 . . . . 0.0 109.512 174.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -167.71 166.02 13.98 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 128.242 2.617 . . . . 0.0 107.479 -175.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -109.3 106.33 58.48 Favored Pre-proline 0 CA--C 1.536 0.433 0 C-N-CA 126.615 1.966 . . . . 0.0 106.28 175.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -82.14 -39.04 0.17 Allowed 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.9 2.4 . . . . 0.0 111.514 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.74 173.4 16.02 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 108.1 -2.0 . . . . 0.0 108.1 -177.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -177.54 69.48 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.577 1.951 . . . . 0.0 107.291 -172.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -179.77 -73.45 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.867 2.067 . . . . 0.0 107.617 177.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.55 66.24 1.09 Allowed Pre-proline 0 N--CA 1.445 -0.722 0 C-N-CA 126.242 1.817 . . . . 0.0 109.831 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -72.55 140.49 33.04 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 122.07 1.847 . . . . 0.0 109.686 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.82 -69.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -92.59 22.3 4.78 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.044 0.938 . . . . 0.0 111.768 178.214 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -63.94 -61.92 1.97 Allowed 'General case' 0 C--O 1.239 0.547 0 CA-C-O 122.764 1.268 . . . . 0.0 108.963 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.646 HD12 ' HB2' ' A' ' 20' ' ' TYR . 63.5 tp -56.2 -26.57 51.4 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.109 173.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 15' ' ' GLU . . . -48.88 -32.88 9.63 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.156 1.344 . . . . 0.0 111.481 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -63.67 1.13 Allowed 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 119.213 -0.995 . . . . 0.0 109.783 173.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.646 ' HB2' HD12 ' A' ' 17' ' ' LEU . 2.0 m-30 -60.14 -15.92 27.96 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -178.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.8 -46.04 91.24 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 113.849 -1.523 . . . . 0.0 108.383 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.16 -29.25 30.38 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.323 -0.86 . . . . 0.0 112.036 179.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -61.8 -54.48 41.75 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.933 0.493 . . . . 0.0 110.64 177.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.2 mt -59.8 -32.72 70.89 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 122.015 0.912 . . . . 0.0 109.63 175.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -46.66 83.98 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 117.913 -1.041 . . . . 0.0 111.357 172.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -54.18 -46.58 72.39 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.845 1.202 . . . . 0.0 110.739 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -53.8 -42.24 68.16 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.417 0.687 . . . . 0.0 109.889 176.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.93 -10.33 11.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.739 0.815 . . . . 0.0 111.676 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.3 -12.83 45.37 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 119.768 -1.832 . . . . 0.0 110.497 175.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.37 -7.17 22.78 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 178.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.796 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -172.14 -59.72 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.34 0 C-N-CA 124.996 1.318 . . . . 0.0 108.715 -176.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.796 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 15.1 Cg_endo -78.07 51.41 3.65 Favored 'Trans proline' 0 CA--C 1.548 1.2 0 C-N-CA 121.801 1.668 . . . . 0.0 113.383 -178.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -52.35 60.39 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 123.852 0.861 . . . . 0.0 111.023 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -171.23 79.0 0.07 Allowed 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.666 1.186 . . . . 0.0 107.928 -177.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -112.76 39.8 2.43 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.77 -0.581 . . . . 0.0 110.194 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -151.44 96.53 2.29 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-O 122.897 1.332 . . . . 0.0 107.514 -173.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.758 0 O-C-N 119.758 -1.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 N--CA 1.476 0.835 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -71.07 -173.5 0.92 Allowed 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 121.655 1.57 . . . . 0.0 112.288 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.7 p -151.0 105.57 3.26 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-O 116.215 -1.85 . . . . 0.0 106.359 177.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -33.91 97.2 0.11 Allowed Pre-proline 0 N--CA 1.452 -0.331 0 O-C-N 124.679 1.237 . . . . 0.0 112.076 175.165 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -76.94 -19.32 14.04 Favored 'Trans proline' 0 N--CA 1.443 -1.489 0 C-N-CA 122.39 2.06 . . . . 0.0 107.696 -175.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -174.79 -52.95 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 178.15 126.99 0.2 Allowed Pre-proline 0 N--CA 1.446 -0.65 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.044 -177.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -66.37 -174.25 0.42 Allowed 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 123.234 2.623 . . . . 0.0 109.891 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.29 119.18 0.49 Allowed Glycine 0 C--O 1.219 -0.808 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 177.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -170.61 169.22 7.29 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 t0 76.99 -60.49 0.46 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.52 1.528 . . . . 0.0 107.877 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -174.56 84.33 0.34 Allowed Pre-proline 0 N--CA 1.443 -0.801 0 CA-C-O 117.64 -1.171 . . . . 0.0 110.906 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -70.81 132.3 21.38 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 124.007 3.138 . . . . 0.0 110.415 -176.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -178.33 54.32 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.504 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 5.1 mt-10 -92.79 19.5 7.52 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.645 0.736 . . . . 0.0 110.444 175.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -59.23 -52.37 65.96 Favored 'General case' 0 N--CA 1.442 -0.852 0 O-C-N 120.368 -1.457 . . . . 0.0 109.615 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -35.45 77.82 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.269 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 15' ' ' GLU . . . -54.2 -23.08 13.19 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 173.079 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 -68.79 -78.78 0.06 Allowed 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -50.66 -15.33 0.26 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 124.489 2.09 . . . . 0.0 116.221 -178.146 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.631 ' HA ' HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -62.5 -46.94 86.17 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 111.632 -2.531 . . . . 0.0 109.769 177.403 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -56.28 -27.1 54.2 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -178.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -65.66 -54.66 24.55 Favored 'General case' 0 N--CA 1.442 -0.874 0 O-C-N 121.084 -1.01 . . . . 0.0 110.197 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.631 HD23 ' HA ' ' A' ' 21' ' ' TYR . 0.5 OUTLIER -59.57 -26.74 65.66 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.37 -0.831 . . . . 0.0 110.421 176.486 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -66.35 -40.47 89.82 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-O 118.077 -0.963 . . . . 0.0 108.654 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -54.07 -51.24 64.75 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -66.86 -47.71 71.07 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 124.722 1.209 . . . . 0.0 110.542 -175.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -54.97 -24.5 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.108 176.1 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -103.46 28.89 6.06 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 124.71 1.204 . . . . 0.0 111.942 176.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.62 24.9 0.34 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 -176.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -170.94 85.17 0.51 Allowed Pre-proline 0 N--CA 1.45 -0.434 0 O-C-N 120.194 -1.566 . . . . 0.0 108.631 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -74.52 123.95 8.5 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 122.322 2.015 . . . . 0.0 109.789 -178.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.54 96.87 0.11 Allowed 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 64.46 70.51 0.49 Allowed 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 178.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -114.1 57.5 0.69 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 121.599 -0.688 . . . . 0.0 110.691 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -171.31 44.56 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.508 0 O-C-N 123.596 0.56 . . . . 0.0 109.795 -175.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 O-C-N 121.563 -0.711 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.631 0 CA-C-O 121.701 0.762 . . . . 0.0 109.561 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.515 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 19.4 t80 -55.25 -16.88 3.69 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 123.264 1.506 . . . . 0.0 112.594 175.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -64.73 -47.55 77.87 Favored 'General case' 0 C--N 1.314 -0.954 0 O-C-N 119.981 -1.7 . . . . 0.0 109.515 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -26.28 68.47 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.619 1.199 . . . . 0.0 110.667 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -59.85 -50.96 71.76 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 121.468 -0.77 . . . . 0.0 111.468 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mt -54.61 -29.48 52.0 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 122.27 1.033 . . . . 0.0 109.848 175.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -44.91 95.0 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 117.564 -1.208 . . . . 0.0 111.85 174.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -54.2 -40.65 67.8 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.825 0.85 . . . . 0.0 110.76 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -63.5 -54.26 39.14 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 122.548 1.166 . . . . 0.0 110.474 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.0 mt -69.09 -12.13 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.097 0 CA-C-O 122.589 1.185 . . . . 0.0 109.309 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.45 -0.467 0 O-C-N 120.215 -1.553 . . . . 0.0 110.352 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.445 -0.693 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.42 ' CE2' HD11 ' A' ' 24' ' ' LEU . 16.8 t80 -63.57 -11.31 23.55 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -59.81 -50.63 73.07 Favored 'General case' 0 C--O 1.246 0.9 0 C-N-CA 125.493 1.517 . . . . 0.0 108.326 174.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -28.14 68.7 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 123.258 0.623 . . . . 0.0 110.195 -177.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.73 -49.97 72.95 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 121.344 -0.848 . . . . 0.0 109.277 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.42 HD11 ' CE2' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -56.52 -35.28 67.88 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.299 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -53.3 -50.43 64.94 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.235 176.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -53.35 -47.57 69.28 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -175.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -59.12 -52.91 63.69 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 124.013 0.925 . . . . 0.0 110.148 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.2 mt -59.96 -23.96 28.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 C-N-CA 123.299 0.639 . . . . 0.0 110.939 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 CA--C 1.54 0.578 0 C-N-CA 126.933 2.093 . . . . 0.0 112.862 177.198 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.237 0.435 0 CA-C-O 122.148 0.975 . . . . 0.0 109.563 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.447 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 15.6 m-85 -60.36 -14.39 18.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 122.637 1.208 . . . . 0.0 112.108 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -63.75 -47.27 81.69 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 120.43 -1.419 . . . . 0.0 110.036 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.03 -22.9 52.06 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.656 0.741 . . . . 0.0 110.825 178.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -65.74 -55.97 14.51 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 120.44 -1.413 . . . . 0.0 110.0 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 mt -58.0 -26.85 62.91 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -40.37 96.54 Favored 'General case' 0 CA--C 1.507 -0.709 0 O-C-N 120.015 -1.678 . . . . 0.0 111.702 175.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -55.16 -42.13 72.72 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.185 0.902 . . . . 0.0 109.381 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -62.99 -48.64 77.95 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 122.063 0.935 . . . . 0.0 111.921 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.15 -12.48 16.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.065 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 CA--C 1.501 -0.919 0 C-N-CA 125.085 1.354 . . . . 0.0 110.408 178.418 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 . . . . . 0 CA--C 1.502 -0.873 0 CA-C-O 119.27 -0.395 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -62.18 -11.32 13.85 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 122.633 1.206 . . . . 0.0 114.1 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -57.38 -47.54 81.39 Favored 'General case' 0 C--N 1.311 -1.092 0 O-C-N 119.451 -2.031 . . . . 0.0 109.107 173.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.52 -24.48 63.7 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.514 -0.741 . . . . 0.0 110.841 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.31 -51.23 66.91 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.445 -0.785 . . . . 0.0 109.51 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mt -58.47 -27.59 64.55 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.622 0.725 . . . . 0.0 110.757 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -41.67 98.21 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 117.534 -1.222 . . . . 0.0 110.915 173.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -55.95 -44.33 78.35 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -176.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -53.55 -48.52 69.04 Favored 'General case' 0 C--N 1.31 -1.148 0 C-N-CA 125.447 1.499 . . . . 0.0 111.962 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.5 mt -77.79 -15.21 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 O-C-N 121.778 -0.576 . . . . 0.0 109.596 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.522 -0.1 0 C-N-CA 124.994 1.318 . . . . 0.0 111.278 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.604 0 CA-C-O 121.201 0.524 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -56.53 -16.67 6.42 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-O 122.564 1.173 . . . . 0.0 113.327 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -64.97 -45.58 85.08 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-O 122.51 1.148 . . . . 0.0 110.821 -177.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 p -55.25 -33.61 63.3 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.006 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.02 -57.56 12.53 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.256 1.027 . . . . 0.0 108.892 -176.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -26.3 62.92 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.856 0.836 . . . . 0.0 109.349 176.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -45.46 87.08 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 117.295 -1.336 . . . . 0.0 110.014 175.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -54.01 -43.1 69.8 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 119.078 0.854 . . . . 0.0 109.414 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -64.1 -47.27 80.67 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 123.128 0.571 . . . . 0.0 112.381 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.7 mt -75.66 -8.69 11.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 123.556 0.535 . . . . 0.0 109.746 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.513 -0.45 0 O-C-N 120.759 -1.213 . . . . 0.0 108.318 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 . . . . . 0 C--O 1.235 0.328 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.478 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 7.0 t80 -60.48 -13.77 15.64 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 123.833 1.778 . . . . 0.0 112.628 178.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -64.57 -46.72 81.56 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 120.124 -1.61 . . . . 0.0 110.318 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.09 -24.83 18.94 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.512 -0.875 . . . . 0.0 111.088 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -62.09 -58.14 8.95 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 118.823 -0.608 . . . . 0.0 109.439 177.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.84 -28.9 1.72 Allowed 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 122.783 1.278 . . . . 0.0 110.48 177.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -62.41 -54.94 32.96 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 120.523 -1.36 . . . . 0.0 109.773 176.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -53.44 -40.27 65.07 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 118.967 0.803 . . . . 0.0 109.025 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.05 -47.32 81.23 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 122.447 1.118 . . . . 0.0 112.325 173.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.8 mt -81.83 -11.06 12.33 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 C-N-CA 116.411 -2.116 . . . . 0.0 108.267 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.2 t30 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 119.525 -1.984 . . . . 0.0 109.792 -177.551 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? . . . . . 0 C--O 1.248 1.021 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.489 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 28.0 t80 -63.36 -13.02 34.76 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-O 124.178 1.942 . . . . 0.0 112.642 -174.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -58.38 -51.6 69.15 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 114.245 -1.343 . . . . 0.0 113.563 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.7 -24.68 58.02 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.762 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -65.77 -58.57 5.35 Favored 'General case' 0 N--CA 1.439 -0.983 0 O-C-N 121.603 -0.686 . . . . 0.0 110.902 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.18 -24.99 29.68 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.284 0.564 . . . . 0.0 109.762 177.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 mtt85 -63.5 -47.42 81.77 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.092 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -54.19 -44.79 71.86 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 118.586 0.63 . . . . 0.0 109.613 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -66.24 -45.59 80.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.969 0.89 . . . . 0.0 111.441 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.0 mt -69.49 -11.87 15.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 121.823 -0.548 . . . . 0.0 110.271 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 . . . . . 0 CA--C 1.517 -0.303 0 C-N-CA 123.926 0.891 . . . . 0.0 109.524 178.448 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 . . . . . 0 C--O 1.24 0.566 0 CA-C-O 122.243 1.021 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.442 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 7.8 t80 -66.28 -10.51 43.18 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.528 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.35 -49.35 74.65 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 123.356 1.55 . . . . 0.0 111.224 173.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -57.85 -25.29 60.5 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 113.758 -1.565 . . . . 0.0 109.409 -175.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -60.27 -56.63 19.13 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.011 -1.056 . . . . 0.0 110.417 176.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.33 -30.01 64.44 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.318 -0.864 . . . . 0.0 109.377 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.64 -39.45 91.37 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 121.3 -0.875 . . . . 0.0 111.068 176.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -54.87 -51.05 67.17 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 118.848 0.749 . . . . 0.0 110.321 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -57.78 -48.0 80.94 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.037 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.1 mt -68.31 -14.1 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 O-C-N 121.795 -0.566 . . . . 0.0 110.616 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 . . . . . 0 CA--C 1.52 -0.207 0 C-N-CA 125.348 1.459 . . . . 0.0 110.476 177.179 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.197 -1.671 0 CA-C-O 125.615 2.626 . . . . 0.0 107.316 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.498 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -66.73 -11.94 56.62 Favored 'General case' 0 C--N 1.391 2.373 0 CA-C-O 116.242 -1.837 . . . . 0.0 107.9 -173.071 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.1 -48.89 78.78 Favored 'General case' 0 C--O 1.202 -1.41 0 CA-C-O 126.211 2.91 . . . . 0.0 109.723 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.28 -31.87 45.91 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-N 113.542 -1.663 . . . . 0.0 110.362 178.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -59.46 -46.62 88.26 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 119.32 -2.112 . . . . 0.0 110.45 177.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.7 mt -62.68 -26.02 68.44 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.588 -0.695 . . . . 0.0 110.207 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -64.8 -37.37 87.39 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.353 -0.842 . . . . 0.0 110.866 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -53.93 -39.1 65.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 119.315 0.961 . . . . 0.0 110.05 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -60.76 -39.73 89.86 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 122.993 0.517 . . . . 0.0 111.062 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.6 mm -88.95 -10.04 10.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.797 0.808 . . . . 0.0 110.539 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 t30 . . . . . 0 N--CA 1.448 -0.567 0 C-N-CA 125.232 1.413 . . . . 0.0 109.194 175.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.242 0.693 0 CA-C-O 122.667 1.222 . . . . 0.0 109.169 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -58.93 -16.89 19.96 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 176.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.645 ' HA ' HD23 ' A' ' 24' ' ' LEU . 7.3 t80 -61.51 -52.28 65.13 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 124.761 1.224 . . . . 0.0 109.444 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -38.71 85.18 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.154 -0.967 . . . . 0.0 110.489 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.15 -51.84 68.27 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 119.127 -0.463 . . . . 0.0 110.945 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.645 HD23 ' HA ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -59.29 -26.64 65.14 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.734 1.254 . . . . 0.0 109.947 175.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -63.79 -31.5 72.7 Favored 'General case' 0 N--CA 1.44 -0.928 0 O-C-N 120.126 -1.609 . . . . 0.0 110.802 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -53.92 -34.5 59.77 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.77 0.714 . . . . 0.0 110.927 176.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -65.08 -61.22 2.27 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 122.369 1.08 . . . . 0.0 108.842 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.9 mt -60.54 -23.47 28.61 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 O-C-N 121.114 -0.991 . . . . 0.0 111.262 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 . . . . . 0 N--CA 1.451 -0.405 0 O-C-N 121.101 -0.999 . . . . 0.0 112.614 174.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 . . . . . 0 C--O 1.239 0.533 0 CA-C-O 121.658 0.742 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.435 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 20.9 t80 -56.85 -16.81 7.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.577 1.18 . . . . 0.0 112.989 176.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -65.5 -45.59 82.99 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 122.439 1.114 . . . . 0.0 109.248 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.7 t -60.67 -30.34 69.84 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 120.84 -1.162 . . . . 0.0 109.986 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -62.37 -42.52 99.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 121.713 -0.617 . . . . 0.0 110.089 176.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.645 HD11 HD11 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -59.4 -29.88 68.05 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 123.61 1.672 . . . . 0.0 109.661 176.323 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -40.05 93.58 Favored 'General case' 0 N--CA 1.444 -0.728 0 O-C-N 119.613 -1.93 . . . . 0.0 110.026 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -54.62 -40.52 68.99 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 123.616 0.572 . . . . 0.0 110.12 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.61 -48.97 67.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 122.01 0.91 . . . . 0.0 110.987 178.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.645 HD11 HD11 ' A' ' 24' ' ' LEU . 97.4 mt -63.76 -18.24 21.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 120.599 -1.313 . . . . 0.0 109.996 178.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 O-C-N 120.735 -1.228 . . . . 0.0 112.689 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.439 -1.002 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -62.38 -17.53 59.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 123.773 1.749 . . . . 0.0 112.731 -178.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -48.8 -53.67 18.26 Favored 'General case' 0 C--N 1.312 -1.036 0 O-C-N 118.596 -2.565 . . . . 0.0 113.106 166.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t -59.51 -24.76 63.91 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -175.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.03 -51.58 60.78 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 122.424 0.289 . . . . 0.0 111.247 178.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mt -56.26 -24.48 43.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -45.44 90.84 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.874 175.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -57.27 -44.04 83.61 Favored 'General case' 0 C--O 1.226 -0.162 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -66.23 -47.08 74.96 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.98 0.895 . . . . 0.0 111.123 177.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.8 mt -67.05 -12.53 15.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 121.603 -0.686 . . . . 0.0 109.876 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 CA--C 1.513 -0.452 0 C-N-CA 124.339 1.056 . . . . 0.0 110.599 176.729 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.266 1.936 0 CA-C-O 125.755 2.693 . . . . 0.0 107.482 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.561 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 49.7 t80 -60.76 -14.58 22.27 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 118.132 -2.855 . . . . 0.0 113.981 -174.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -53.26 -54.11 41.06 Favored 'General case' 0 N--CA 1.416 -2.146 0 O-C-N 125.816 1.947 . . . . 0.0 109.411 171.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -30.33 62.08 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.317 -175.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -54.29 -52.5 61.26 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 121.897 0.855 . . . . 0.0 112.609 178.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mt -53.98 -27.03 28.92 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.864 177.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.07 -47.31 85.26 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 118.862 -0.589 . . . . 0.0 110.591 174.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -53.86 -43.09 69.24 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 118.391 0.541 . . . . 0.0 109.673 -177.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -62.73 -44.18 96.89 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.188 0.518 . . . . 0.0 110.719 176.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.6 mt -74.83 -11.02 14.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 O-C-N 121.694 -0.629 . . . . 0.0 110.105 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 N--CA 1.451 -0.407 0 C-N-CA 125.157 1.383 . . . . 0.0 109.324 179.017 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 . . . . . 0 C--O 1.247 0.961 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.418 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 24.9 t80 -64.35 -11.41 32.09 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 121.779 0.8 . . . . 0.0 112.299 -178.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -57.41 -53.38 58.77 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 124.278 1.99 . . . . 0.0 109.853 174.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.0 -26.38 64.46 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 113.524 -1.671 . . . . 0.0 110.631 -175.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -65.76 -52.7 48.88 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.24 0.616 . . . . 0.0 111.136 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.406 HD11 ' CE2' ' A' ' 20' ' ' TYR . 1.4 mt -51.55 -35.48 41.05 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 174.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -59.25 -57.78 11.5 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-O 117.773 -1.108 . . . . 0.0 110.137 174.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -54.12 -41.85 68.8 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 119.23 0.923 . . . . 0.0 108.652 -174.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -60.37 -36.41 77.98 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.4 mt -86.64 -19.91 7.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 O-C-N 120.099 -1.625 . . . . 0.0 110.855 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.504 -0.79 0 C-N-CA 126.502 1.921 . . . . 0.0 112.536 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.448 ' C ' ' NH1' ' A' ' 19' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.572 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -57.25 -15.65 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.497 ' HA ' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -65.29 -40.86 94.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -22.53 67.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.025 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -64.73 -51.25 63.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.634 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -58.39 -20.99 48.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.66 -46.14 59.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -55.71 -44.68 77.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.623 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -68.85 -36.54 78.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.634 HD12 ' O ' ' A' ' 24' ' ' LEU . 29.4 mt -75.15 -11.95 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.643 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.447 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 2.0 m-30 -60.14 -15.92 27.96 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -178.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.8 -46.04 91.24 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 113.849 -1.523 . . . . 0.0 108.383 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.16 -29.25 30.38 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.323 -0.86 . . . . 0.0 112.036 179.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -61.8 -54.48 41.75 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.933 0.493 . . . . 0.0 110.64 177.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.2 mt -59.8 -32.72 70.89 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 122.015 0.912 . . . . 0.0 109.63 175.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -46.66 83.98 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 117.913 -1.041 . . . . 0.0 111.357 172.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -54.18 -46.58 72.39 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.845 1.202 . . . . 0.0 110.739 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -53.8 -42.24 68.16 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.417 0.687 . . . . 0.0 109.889 176.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.93 -10.33 11.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.739 0.815 . . . . 0.0 111.676 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.408 0 O-C-N 119.768 -1.832 . . . . 0.0 110.497 175.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 . . . . . 0 N--CA 1.431 -1.415 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -50.66 -15.33 0.26 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 124.489 2.09 . . . . 0.0 116.221 -178.146 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.631 ' HA ' HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -62.5 -46.94 86.17 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 111.632 -2.531 . . . . 0.0 109.769 177.403 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -56.28 -27.1 54.2 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -178.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -65.66 -54.66 24.55 Favored 'General case' 0 N--CA 1.442 -0.874 0 O-C-N 121.084 -1.01 . . . . 0.0 110.197 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.631 HD23 ' HA ' ' A' ' 21' ' ' TYR . 0.5 OUTLIER -59.57 -26.74 65.66 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.37 -0.831 . . . . 0.0 110.421 176.486 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -66.35 -40.47 89.82 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-O 118.077 -0.963 . . . . 0.0 108.654 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -54.07 -51.24 64.75 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -66.86 -47.71 71.07 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 124.722 1.209 . . . . 0.0 110.542 -175.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -54.97 -24.5 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.108 176.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.223 -0.302 0 C-N-CA 124.71 1.204 . . . . 0.0 111.942 176.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.611 ' CG ' ' HD2' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.456 0 CA-C-O 117.363 -1.303 . . . . 0.0 110.645 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.611 ' HD2' ' CG ' ' A' ' 1' ' ' TYR . 19.8 Cg_endo -76.92 -163.16 0.19 Allowed 'Trans proline' 0 CA--C 1.536 0.598 0 C-N-CA 124.145 3.23 . . . . 0.0 107.505 176.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t 71.27 -75.6 0.07 Allowed 'General case' 0 C--O 1.245 0.855 0 C-N-CA 125.533 1.533 . . . . 0.0 107.658 -175.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.9 mttp 163.46 -58.0 0.0 OUTLIER Pre-proline 0 N--CA 1.448 -0.533 0 C-N-CA 131.096 3.758 . . . . 0.0 111.541 -174.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -76.94 175.67 11.09 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 123.006 2.471 . . . . 0.0 108.64 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 t0 177.67 101.55 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 103.488 -2.782 . . . . 0.0 103.488 -175.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -167.81 155.2 7.96 Favored Pre-proline 0 CA--C 1.515 -0.377 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 173.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -74.68 -169.43 0.61 Allowed 'Trans proline' 0 N--CA 1.45 -1.048 0 C-N-CA 121.858 1.706 . . . . 0.0 109.84 177.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.2 166.94 0.62 Allowed Glycine 0 C--N 1.341 0.824 0 C-N-CA 127.554 2.502 . . . . 0.0 114.562 171.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -139.45 166.73 23.79 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 118.558 -1.257 . . . . 0.0 108.251 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -89.0 26.9 1.45 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.13 0.967 . . . . 0.0 110.959 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -170.5 70.68 0.57 Allowed Pre-proline 0 N--CA 1.44 -0.941 0 N-CA-C 104.559 -2.385 . . . . 0.0 104.559 -177.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -76.5 117.47 4.58 Favored 'Trans proline' 0 N--CA 1.445 -1.337 0 N-CA-C 105.597 -2.501 . . . . 0.0 105.597 174.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.47 56.6 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.515 1.526 . . . . 0.0 109.551 172.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -113.11 18.36 18.05 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.872 1.269 . . . . 0.0 111.56 178.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.46 -62.99 1.31 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 125.278 2.466 . . . . 0.0 109.555 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.9 mt -65.12 -23.5 67.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 112.279 -2.237 . . . . 0.0 110.79 178.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.29 93.84 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.164 -0.96 . . . . 0.0 112.354 174.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.79 -49.01 42.65 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 118.545 -1.262 . . . . 0.0 109.561 177.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.515 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 19.4 t80 -55.25 -16.88 3.69 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 123.264 1.506 . . . . 0.0 112.594 175.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -64.73 -47.55 77.87 Favored 'General case' 0 C--N 1.314 -0.954 0 O-C-N 119.981 -1.7 . . . . 0.0 109.515 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -26.28 68.47 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.619 1.199 . . . . 0.0 110.667 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -59.85 -50.96 71.76 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 121.468 -0.77 . . . . 0.0 111.468 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mt -54.61 -29.48 52.0 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 122.27 1.033 . . . . 0.0 109.848 175.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -44.91 95.0 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 117.564 -1.208 . . . . 0.0 111.85 174.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -54.2 -40.65 67.8 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.825 0.85 . . . . 0.0 110.76 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -63.5 -54.26 39.14 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 122.548 1.166 . . . . 0.0 110.474 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.0 mt -69.09 -12.13 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.097 0 CA-C-O 122.589 1.185 . . . . 0.0 109.309 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.4 -3.38 55.47 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.215 -1.553 . . . . 0.0 110.352 178.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.1 mt -73.37 -5.73 41.62 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 118.847 0.749 . . . . 0.0 112.342 172.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.17 160.54 16.43 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-O 118.415 -0.802 . . . . 0.0 109.32 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -78.86 57.76 6.56 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.715 2.944 . . . . 0.0 109.523 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 39.16 75.59 0.07 Allowed 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 125.163 1.385 . . . . 0.0 110.711 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.04 48.78 1.75 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.29 38.61 0.78 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.909 0.861 . . . . 0.0 110.415 -178.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -139.98 -54.53 0.54 Allowed 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 106.171 -1.789 . . . . 0.0 106.171 -174.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 O-C-N 123.384 0.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -75.52 65.38 6.51 Favored 'Trans proline' 0 CA--C 1.554 1.475 0 C-N-CA 121.785 1.656 . . . . 0.0 110.441 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.22 123.75 37.3 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 125.709 1.604 . . . . 0.0 108.303 174.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -148.42 66.21 9.04 Favored Pre-proline 0 N--CA 1.472 0.64 0 CA-C-N 120.371 1.441 . . . . 0.0 111.465 171.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -69.91 130.35 19.02 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.365 2.044 . . . . 0.0 110.429 -169.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -143.53 103.63 4.12 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 103.447 -2.797 . . . . 0.0 103.447 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -137.63 132.23 17.45 Favored Pre-proline 0 N--CA 1.484 1.248 0 C-N-CA 126.02 1.728 . . . . 0.0 110.468 171.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -72.03 121.0 7.2 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 122.048 1.832 . . . . 0.0 111.548 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.25 116.88 0.39 Allowed Glycine 0 CA--C 1.529 0.927 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 61.75 64.79 0.99 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.402 1.081 . . . . 0.0 111.771 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -167.17 -57.66 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 176.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -172.36 73.53 0.45 Allowed Pre-proline 0 CA--C 1.543 0.685 0 C-N-CA 127.075 2.15 . . . . 0.0 109.226 -176.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -71.82 144.77 44.31 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.112 1.875 . . . . 0.0 109.874 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.53 57.99 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.719 1.608 . . . . 0.0 109.242 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.51 13.75 4.27 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 177.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -54.12 -78.74 0.02 OUTLIER 'General case' 0 C--O 1.235 0.341 0 C-N-CA 125.683 1.593 . . . . 0.0 108.912 176.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 pp -63.86 -19.43 65.05 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.658 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.11 99.43 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 119.382 0.992 . . . . 0.0 111.054 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -52.18 59.19 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 176.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.42 ' CE2' HD11 ' A' ' 24' ' ' LEU . 16.8 t80 -63.57 -11.31 23.55 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -59.81 -50.63 73.07 Favored 'General case' 0 C--O 1.246 0.9 0 C-N-CA 125.493 1.517 . . . . 0.0 108.326 174.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -28.14 68.7 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 123.258 0.623 . . . . 0.0 110.195 -177.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.73 -49.97 72.95 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 121.344 -0.848 . . . . 0.0 109.277 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.42 HD11 ' CE2' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -56.52 -35.28 67.88 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.299 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -53.3 -50.43 64.94 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.235 176.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -53.35 -47.57 69.28 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -175.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -59.12 -52.91 63.69 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 124.013 0.925 . . . . 0.0 110.148 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.2 mt -59.96 -23.96 28.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 C-N-CA 123.299 0.639 . . . . 0.0 110.939 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -89.43 15.76 8.69 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.933 2.093 . . . . 0.0 112.862 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tt -153.05 32.23 0.48 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.72 1.608 . . . . 0.0 108.087 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.68 158.29 42.21 Favored Pre-proline 0 CA--C 1.548 0.873 0 O-C-N 119.711 -1.868 . . . . 0.0 111.383 174.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -68.24 78.54 0.61 Allowed 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 123.438 2.759 . . . . 0.0 109.389 -177.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 59.05 -88.99 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.404 1.882 . . . . 0.0 109.391 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.26 42.16 2.77 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.342 1.857 . . . . 0.0 108.215 -175.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 51.06 48.08 23.71 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.559 1.144 . . . . 0.0 110.568 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -167.25 -53.68 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -174.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 O-C-N 121.845 -0.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -76.15 110.46 3.07 Favored 'Trans proline' 0 N--CA 1.442 -1.506 0 N-CA-C 108.826 -1.259 . . . . 0.0 108.826 -176.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.08 136.91 49.87 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 178.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -114.91 86.48 13.44 Favored Pre-proline 0 C--O 1.22 -0.451 0 CA-C-O 117.674 -1.155 . . . . 0.0 109.927 175.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -72.18 -173.21 1.03 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.868 2.379 . . . . 0.0 107.976 -177.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 77.3 140.86 0.07 Allowed 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 174.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -113.91 86.34 11.0 Favored Pre-proline 0 N--CA 1.467 0.376 0 CA-C-O 116.895 -1.526 . . . . 0.0 109.247 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -74.44 -160.57 0.1 Allowed 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 122.81 2.34 . . . . 0.0 109.68 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 145.9 71.52 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 108.065 -2.014 . . . . 0.0 108.065 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -177.84 140.08 0.24 Allowed 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 t70 60.95 84.29 0.13 Allowed 'General case' 0 C--O 1.222 -0.357 0 O-C-N 125.946 2.029 . . . . 0.0 108.479 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 58.3 82.51 0.23 Allowed Pre-proline 0 CA--C 1.552 1.029 0 CA-C-O 122.622 1.201 . . . . 0.0 112.079 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -70.26 117.82 5.33 Favored 'Trans proline' 0 N--CA 1.445 -1.371 0 N-CA-C 108.957 -1.209 . . . . 0.0 108.957 -177.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.65 -32.23 36.23 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 120.242 -1.536 . . . . 0.0 109.579 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.482 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 4.1 mt-10 -92.48 23.04 4.18 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 120.969 -1.082 . . . . 0.0 110.492 175.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -58.84 -39.16 80.47 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 119.647 -1.908 . . . . 0.0 109.916 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.95 -23.27 67.17 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 114.322 -1.308 . . . . 0.0 111.151 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 15' ' ' GLU . . . -63.05 -44.57 95.49 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 124.587 1.155 . . . . 0.0 110.043 175.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.98 -47.0 64.0 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 122.148 0.975 . . . . 0.0 109.563 178.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.447 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 15.6 m-85 -60.36 -14.39 18.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 122.637 1.208 . . . . 0.0 112.108 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -63.75 -47.27 81.69 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 120.43 -1.419 . . . . 0.0 110.036 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.03 -22.9 52.06 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.656 0.741 . . . . 0.0 110.825 178.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -65.74 -55.97 14.51 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 120.44 -1.413 . . . . 0.0 110.0 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 mt -58.0 -26.85 62.91 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -40.37 96.54 Favored 'General case' 0 CA--C 1.507 -0.709 0 O-C-N 120.015 -1.678 . . . . 0.0 111.702 175.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -55.16 -42.13 72.72 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.185 0.902 . . . . 0.0 109.381 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -62.99 -48.64 77.95 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 122.063 0.935 . . . . 0.0 111.921 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.15 -12.48 16.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.065 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -101.44 21.06 14.82 Favored 'General case' 0 CA--C 1.501 -0.919 0 C-N-CA 125.085 1.354 . . . . 0.0 110.408 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.692 ' O ' HD23 ' A' ' 30' ' ' LEU . 6.6 tt -153.96 20.62 0.51 Allowed 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.712 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -51.85 -53.71 48.23 Favored Pre-proline 0 CA--C 1.553 1.058 0 O-C-N 121.51 -0.744 . . . . 0.0 111.424 174.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.712 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 12.1 Cg_endo -78.02 106.08 2.11 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 121.615 1.543 . . . . 0.0 108.872 -177.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.55 87.53 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 64.21 66.98 0.61 Allowed 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 176.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -94.9 -8.5 36.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 118.911 -0.566 . . . . 0.0 111.197 175.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -158.9 128.46 5.62 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 -172.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.719 0 O-C-N 122.059 -0.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 117.438 -1.268 . . . . 0.0 109.4 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -76.74 -175.49 2.64 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.939 2.426 . . . . 0.0 109.722 171.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t 70.66 162.23 0.24 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -176.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -177.34 85.1 0.25 Allowed Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 125.555 1.542 . . . . 0.0 107.68 173.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -77.55 170.24 19.6 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.242 1.962 . . . . 0.0 109.897 175.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.03 123.71 23.39 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 -177.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -134.87 149.54 70.84 Favored Pre-proline 0 N--CA 1.48 1.07 0 CA-C-N 120.594 1.543 . . . . 0.0 109.303 168.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -74.57 175.61 10.84 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 122.165 1.91 . . . . 0.0 109.556 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.34 89.28 0.88 Allowed Glycine 0 CA--C 1.536 1.403 0 O-C-N 120.912 -1.118 . . . . 0.0 114.093 -171.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -171.18 51.74 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.76 1.224 . . . . 0.0 114.073 -165.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 172.41 -89.82 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 -172.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.485 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -57.86 -50.32 88.79 Favored Pre-proline 0 N--CA 1.45 -0.441 0 C-N-CA 125.699 1.6 . . . . 0.0 112.292 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.485 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 32.9 Cg_endo -80.69 115.84 3.14 Favored 'Trans proline' 0 N--CA 1.446 -1.309 0 C-N-CA 121.194 1.263 . . . . 0.0 108.991 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.51 61.9 0.49 Allowed 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.243 1.417 . . . . 0.0 108.581 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.529 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -86.15 19.8 2.54 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.913 -1.117 . . . . 0.0 112.286 176.575 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -54.84 -59.86 4.15 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 124.922 1.289 . . . . 0.0 107.77 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.6 mt -61.28 -30.2 70.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.236 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 15' ' ' GLU . . . -60.2 -41.85 93.84 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 124.129 0.971 . . . . 0.0 110.819 176.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -64.17 -54.79 28.07 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 118.954 -1.098 . . . . 0.0 110.544 170.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -62.18 -11.32 13.85 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 122.633 1.206 . . . . 0.0 114.1 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -57.38 -47.54 81.39 Favored 'General case' 0 C--N 1.311 -1.092 0 O-C-N 119.451 -2.031 . . . . 0.0 109.107 173.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.52 -24.48 63.7 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.514 -0.741 . . . . 0.0 110.841 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.31 -51.23 66.91 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.445 -0.785 . . . . 0.0 109.51 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mt -58.47 -27.59 64.55 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.622 0.725 . . . . 0.0 110.757 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -41.67 98.21 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 117.534 -1.222 . . . . 0.0 110.915 173.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -55.95 -44.33 78.35 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -176.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -53.55 -48.52 69.04 Favored 'General case' 0 C--N 1.31 -1.148 0 C-N-CA 125.447 1.499 . . . . 0.0 111.962 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.5 mt -77.79 -15.21 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 O-C-N 121.778 -0.576 . . . . 0.0 109.596 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.52 -12.96 61.29 Favored 'General case' 0 CA--C 1.522 -0.1 0 C-N-CA 124.994 1.318 . . . . 0.0 111.278 178.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.34 -5.12 12.98 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 119.575 -0.25 . . . . 0.0 111.123 174.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -163.86 151.18 10.54 Favored Pre-proline 0 CA--C 1.536 0.439 0 O-C-N 120.938 -1.101 . . . . 0.0 110.273 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -69.77 91.89 0.52 Allowed 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.458 2.105 . . . . 0.0 109.143 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 42.59 70.79 0.26 Allowed 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 125.225 1.41 . . . . 0.0 111.012 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.3 pm0 45.37 26.95 0.32 Allowed 'General case' 0 CA--C 1.555 1.158 0 O-C-N 120.548 -1.345 . . . . 0.0 114.309 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 54.04 41.35 32.06 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.544 1.138 . . . . 0.0 113.501 -170.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -167.92 176.21 6.34 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.467 -0.771 . . . . 0.0 111.265 -172.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.128 0 O-C-N 120.487 -1.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 116.766 -1.588 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -75.35 -35.43 2.9 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 123.207 2.605 . . . . 0.0 112.001 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.97 156.82 0.32 Allowed 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 124.738 1.274 . . . . 0.0 110.803 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' CB ' ' HD3' ' A' ' 5' ' ' PRO . 0.2 OUTLIER 176.98 -65.45 0.0 OUTLIER Pre-proline 0 N--CA 1.429 -1.495 0 O-C-N 125.359 1.662 . . . . 0.0 107.81 -176.362 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.403 ' HD3' ' CB ' ' A' ' 4' ' ' LYS . 18.9 Cg_endo -68.67 161.51 45.01 Favored 'Trans proline' 0 C--O 1.218 -0.496 0 O-C-N 124.277 1.672 . . . . 0.0 110.591 -176.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.1 t70 178.53 145.28 0.13 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -170.1 150.01 3.49 Favored Pre-proline 0 CA--C 1.507 -0.681 0 O-C-N 121.36 -0.838 . . . . 0.0 108.895 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -76.49 -56.57 0.05 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.516 2.144 . . . . 0.0 111.322 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.3 151.91 23.97 Favored Glycine 0 N--CA 1.436 -1.34 0 N-CA-C 108.236 -1.945 . . . . 0.0 108.236 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.69 -175.32 4.98 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 117.89 0.845 . . . . 0.0 109.13 177.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.95 22.88 5.29 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.57 1.148 . . . . 0.0 110.515 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -170.77 67.24 0.49 Allowed Pre-proline 0 C--O 1.217 -0.651 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -76.42 149.58 31.24 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 122.425 2.083 . . . . 0.0 111.798 178.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.0 61.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 1.2 mp0 -87.09 18.17 3.78 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 120.969 -1.082 . . . . 0.0 110.146 175.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.98 -57.63 8.09 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 121.11 -0.994 . . . . 0.0 108.695 176.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mt -67.66 -23.12 65.29 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.877 -0.514 . . . . 0.0 110.016 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 15' ' ' GLU . . . -64.55 -43.6 93.46 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 122.909 1.338 . . . . 0.0 108.823 177.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -47.98 64.93 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 119.418 -2.051 . . . . 0.0 111.139 178.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -56.53 -16.67 6.42 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-O 122.564 1.173 . . . . 0.0 113.327 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -64.97 -45.58 85.08 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-O 122.51 1.148 . . . . 0.0 110.821 -177.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 p -55.25 -33.61 63.3 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.006 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.02 -57.56 12.53 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.256 1.027 . . . . 0.0 108.892 -176.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -26.3 62.92 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.856 0.836 . . . . 0.0 109.349 176.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -45.46 87.08 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 117.295 -1.336 . . . . 0.0 110.014 175.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -54.01 -43.1 69.8 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 119.078 0.854 . . . . 0.0 109.414 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -64.1 -47.27 80.67 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 123.128 0.571 . . . . 0.0 112.381 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.7 mt -75.66 -8.69 11.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 123.556 0.535 . . . . 0.0 109.746 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.61 -7.67 59.64 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 120.759 -1.213 . . . . 0.0 108.318 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.11 -2.67 22.37 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -165.64 158.39 13.11 Favored Pre-proline 0 N--CA 1.446 -0.632 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -75.17 123.13 7.57 Favored 'Trans proline' 0 CA--C 1.506 -0.877 1 C-N-CA 125.845 4.363 . . . . 0.0 111.608 176.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.16 81.13 1.78 Allowed 'General case' 0 N--CA 1.438 -1.034 0 O-C-N 121.254 -0.904 . . . . 0.0 109.068 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -169.55 77.01 0.1 Allowed 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 174.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -123.44 54.11 1.3 Allowed 'General case' 0 C--O 1.222 -0.391 0 CA-C-O 117.855 -1.069 . . . . 0.0 109.789 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.9 t80 57.92 82.54 0.13 Allowed 'General case' 0 N--CA 1.424 -1.739 0 CA-C-O 124.947 2.308 . . . . 0.0 113.609 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.071 0 O-C-N 117.766 -3.084 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.21 -1.016 0 CA-C-O 116.273 -1.822 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -74.3 169.3 22.8 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 C-N-CA 121.662 1.575 . . . . 0.0 108.615 -176.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -149.9 108.85 3.88 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.37 73.14 8.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 172.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -76.56 58.27 5.8 Favored 'Trans proline' 0 N--CA 1.449 -1.119 0 C-N-CA 122.576 2.184 . . . . 0.0 110.794 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -105.9 -59.88 1.71 Allowed 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 53.47 82.79 0.24 Allowed Pre-proline 0 N--CA 1.474 0.739 0 CA-C-O 122.16 0.981 . . . . 0.0 113.516 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -71.44 163.36 39.31 Favored 'Trans proline' 0 N--CA 1.445 -1.329 0 O-C-N 119.497 -0.844 . . . . 0.0 110.12 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.18 95.26 1.92 Allowed Glycine 0 C--O 1.227 -0.339 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -171.05 51.91 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.91 85.98 0.07 Allowed 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.662 0.744 . . . . 0.0 110.735 177.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 48.36 67.69 4.25 Favored Pre-proline 0 CA--C 1.551 1.009 0 O-C-N 120.707 -1.245 . . . . 0.0 111.871 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -71.42 173.57 12.21 Favored 'Trans proline' 0 N--CA 1.445 -1.348 0 CA-C-O 122.244 0.852 . . . . 0.0 110.055 -175.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.75 -19.69 61.99 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.31 -0.869 . . . . 0.0 111.181 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -84.99 20.39 1.88 Allowed 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.73 0.812 . . . . 0.0 111.133 176.024 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -57.02 -56.37 22.67 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 123.551 1.643 . . . . 0.0 107.912 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.4 mt -64.82 -21.24 66.74 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.272 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 15' ' ' GLU . . . -62.68 -44.72 95.54 Favored 'General case' 0 CA--C 1.52 -0.179 0 O-C-N 121.122 -0.986 . . . . 0.0 111.008 175.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -68.06 -47.82 67.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.416 -0.803 . . . . 0.0 110.36 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.478 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 7.0 t80 -60.48 -13.77 15.64 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 123.833 1.778 . . . . 0.0 112.628 178.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -64.57 -46.72 81.56 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 120.124 -1.61 . . . . 0.0 110.318 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.09 -24.83 18.94 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.512 -0.875 . . . . 0.0 111.088 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -62.09 -58.14 8.95 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 118.823 -0.608 . . . . 0.0 109.439 177.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.84 -28.9 1.72 Allowed 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 122.783 1.278 . . . . 0.0 110.48 177.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -62.41 -54.94 32.96 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 120.523 -1.36 . . . . 0.0 109.773 176.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -53.44 -40.27 65.07 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 118.967 0.803 . . . . 0.0 109.025 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.05 -47.32 81.23 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 122.447 1.118 . . . . 0.0 112.325 173.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.8 mt -81.83 -11.06 12.33 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 C-N-CA 116.411 -2.116 . . . . 0.0 108.267 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -93.01 -1.96 56.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 119.525 -1.984 . . . . 0.0 109.792 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.05 1.32 18.32 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.419 0.688 . . . . 0.0 109.902 177.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.598 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -55.63 168.19 0.66 Allowed Pre-proline 0 N--CA 1.447 -0.582 0 O-C-N 121.705 -0.622 . . . . 0.0 109.905 177.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.598 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 20.9 Cg_endo -74.53 66.24 5.58 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 121.85 1.7 . . . . 0.0 110.706 -178.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.87 174.9 9.52 Favored 'General case' 0 N--CA 1.441 -0.918 0 O-C-N 120.28 -1.512 . . . . 0.0 109.959 177.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -144.22 64.87 1.3 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 176.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.448 ' O ' ' CG ' ' A' ' 35' ' ' ARG . 3.0 ptm180 -118.23 63.56 0.76 Allowed 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 176.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -176.58 119.3 0.13 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 102.936 -2.987 . . . . 0.0 102.936 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.718 0 O-C-N 122.078 -0.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 6.2 p90 . . . . . 0 N--CA 1.47 0.573 0 CA-C-O 117.613 -1.184 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -78.19 -54.37 0.05 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.316 2.011 . . . . 0.0 110.608 176.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.23 121.35 1.68 Allowed 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 116.838 -1.553 . . . . 0.0 107.941 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 171.99 88.37 0.04 OUTLIER Pre-proline 0 C--O 1.22 -0.478 0 O-C-N 125.524 1.765 . . . . 0.0 108.503 179.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -75.36 170.42 20.35 Favored 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 122.107 1.871 . . . . 0.0 109.974 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.02 -62.13 1.79 Allowed 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 -179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 164.15 -56.38 0.0 OUTLIER Pre-proline 0 C--O 1.213 -0.857 0 CA-C-O 115.966 -1.969 . . . . 0.0 106.031 -171.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -75.3 165.26 31.22 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.437 2.091 . . . . 0.0 109.872 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.37 -156.47 27.28 Favored Glycine 0 CA--C 1.521 0.412 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 59.64 72.15 0.54 Allowed 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 122.249 1.023 . . . . 0.0 109.481 176.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -175.33 98.1 0.08 Allowed 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 37.47 61.85 3.79 Favored Pre-proline 0 CA--C 1.549 0.935 0 CA-C-O 121.804 0.812 . . . . 0.0 112.055 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -75.34 142.96 27.47 Favored 'Trans proline' 0 N--CA 1.441 -1.588 0 C-N-CA 121.169 1.246 . . . . 0.0 108.89 -175.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -176.52 63.68 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -176.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -147.48 23.7 1.13 Allowed 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 121.651 -0.656 . . . . 0.0 110.896 172.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 176.73 -40.49 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 176.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mt -73.55 -32.4 64.16 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.42 -51.59 55.38 Favored 'General case' 0 CA--C 1.52 -0.18 0 O-C-N 121.737 -0.602 . . . . 0.0 110.691 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? -63.53 -46.24 86.91 Favored 'General case' 0 C--O 1.248 1.021 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 176.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.489 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 28.0 t80 -63.36 -13.02 34.76 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-O 124.178 1.942 . . . . 0.0 112.642 -174.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -58.38 -51.6 69.15 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 114.245 -1.343 . . . . 0.0 113.563 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.7 -24.68 58.02 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.762 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -65.77 -58.57 5.35 Favored 'General case' 0 N--CA 1.439 -0.983 0 O-C-N 121.603 -0.686 . . . . 0.0 110.902 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.18 -24.99 29.68 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.284 0.564 . . . . 0.0 109.762 177.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 mtt85 -63.5 -47.42 81.77 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.092 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -54.19 -44.79 71.86 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 118.586 0.63 . . . . 0.0 109.613 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -66.24 -45.59 80.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.969 0.89 . . . . 0.0 111.441 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.0 mt -69.49 -11.87 15.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 121.823 -0.548 . . . . 0.0 110.271 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -101.48 23.64 10.82 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 123.926 0.891 . . . . 0.0 109.524 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.96 35.31 0.39 Allowed 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -171.32 155.17 4.15 Favored Pre-proline 0 N--CA 1.447 -0.589 0 O-C-N 121.594 -0.692 . . . . 0.0 109.391 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -74.97 121.2 6.44 Favored 'Trans proline' 0 N--CA 1.441 -1.572 0 N-CA-C 107.197 -1.886 . . . . 0.0 107.197 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 69.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.319 1.048 . . . . 0.0 110.037 177.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.17 54.27 1.46 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 -177.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.5 mtp85 -76.76 2.51 14.17 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 118.434 -1.306 . . . . 0.0 113.457 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -118.07 20.74 13.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 123.322 1.534 . . . . 0.0 109.313 -170.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.84 0 O-C-N 120.327 -1.483 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.541 ' CZ ' ' HB3' ' A' ' 3' ' ' SER . 1.2 p90 . . . . . 0 CA--C 1.541 0.601 0 CA-C-O 116.216 -1.85 . . . . 0.0 107.462 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -79.59 103.38 1.59 Allowed 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 124.663 3.575 . . . . 0.0 112.272 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 1' ' ' TYR . 8.5 p -109.11 143.24 38.73 Favored 'General case' 0 CA--C 1.508 -0.641 0 O-C-N 120.774 -1.204 . . . . 0.0 108.133 -178.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.06 152.46 21.53 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-O 118.382 -0.818 . . . . 0.0 112.693 175.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -70.16 161.65 45.2 Favored 'Trans proline' 0 N--CA 1.44 -1.666 0 C-N-CA 123.258 2.639 . . . . 0.0 109.212 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -107.54 -59.0 1.89 Allowed 'General case' 0 N--CA 1.432 -1.334 0 CA-C-N 113.223 -1.808 . . . . 0.0 108.83 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -35.91 100.06 0.19 Allowed Pre-proline 0 N--CA 1.465 0.308 0 C-N-CA 127.082 2.153 . . . . 0.0 109.505 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -78.76 72.19 6.56 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 121.901 1.734 . . . . 0.0 109.776 -175.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.18 152.85 24.05 Favored Glycine 0 N--CA 1.432 -1.585 0 N-CA-C 107.16 -2.376 . . . . 0.0 107.16 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 59.77 175.12 0.08 Allowed 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.778 1.231 . . . . 0.0 108.682 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 t0 78.52 -62.63 0.33 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.18 -0.918 . . . . 0.0 108.534 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.66 75.19 0.38 Allowed Pre-proline 0 N--CA 1.434 -1.273 0 C-N-CA 127.988 2.515 . . . . 0.0 109.089 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -73.1 152.37 50.9 Favored 'Trans proline' 0 N--CA 1.444 -1.436 0 C-N-CA 121.806 1.671 . . . . 0.0 108.563 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 70.55 48.47 0.45 Allowed 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -135.45 19.87 3.36 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.921 0.867 . . . . 0.0 113.19 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.15 -71.12 0.19 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 124.333 2.016 . . . . 0.0 109.889 -177.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.56 -15.11 63.17 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 113.197 -1.819 . . . . 0.0 111.404 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.01 97.43 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.167 0.987 . . . . 0.0 110.163 177.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -68.8 -48.72 62.88 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 122.243 1.021 . . . . 0.0 109.735 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.442 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 7.8 t80 -66.28 -10.51 43.18 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.528 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.35 -49.35 74.65 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 123.356 1.55 . . . . 0.0 111.224 173.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -57.85 -25.29 60.5 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 113.758 -1.565 . . . . 0.0 109.409 -175.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -60.27 -56.63 19.13 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.011 -1.056 . . . . 0.0 110.417 176.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.33 -30.01 64.44 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.318 -0.864 . . . . 0.0 109.377 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.64 -39.45 91.37 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 121.3 -0.875 . . . . 0.0 111.068 176.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -54.87 -51.05 67.17 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 118.848 0.749 . . . . 0.0 110.321 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -57.78 -48.0 80.94 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.037 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.1 mt -68.31 -14.1 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 O-C-N 121.795 -0.566 . . . . 0.0 110.616 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -97.05 12.84 31.14 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 125.348 1.459 . . . . 0.0 110.476 177.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 tt -154.67 47.17 0.56 Allowed 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.872 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -61.1 178.86 0.25 Allowed Pre-proline 0 N--CA 1.444 -0.752 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.853 174.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.872 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 27.0 Cg_endo -71.47 -164.26 0.15 Allowed 'Trans proline' 0 N--CA 1.442 -1.522 0 C-N-CA 121.536 1.491 . . . . 0.0 110.173 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.22 123.32 49.27 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 124.07 0.948 . . . . 0.0 110.089 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 44.98 33.72 1.09 Allowed 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 123.846 0.858 . . . . 0.0 110.879 -178.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 41.08 51.0 3.31 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 118.789 0.722 . . . . 0.0 110.782 -173.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.5 t80 177.84 -72.86 0.01 OUTLIER 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.751 0 O-C-N 120.6 -1.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 117.635 -1.174 . . . . 0.0 109.71 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -72.09 89.49 0.78 Allowed 'Trans proline' 0 N--CA 1.441 -1.596 0 C-N-CA 124.336 3.358 . . . . 0.0 108.266 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -124.53 -53.17 1.69 Allowed 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 123.769 0.828 . . . . 0.0 109.263 175.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.98 94.09 0.05 OUTLIER Pre-proline 0 CA--C 1.547 0.865 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 -175.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -78.49 -176.44 3.27 Favored 'Trans proline' 0 N--CA 1.441 -1.618 0 C-N-CA 121.502 1.468 . . . . 0.0 109.372 174.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 63.19 108.33 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 124.929 1.393 . . . . 0.0 110.492 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -113.16 129.65 24.35 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.684 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -71.29 131.57 19.34 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 122.555 2.17 . . . . 0.0 110.917 175.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.97 150.83 23.16 Favored Glycine 0 CA--C 1.533 1.176 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 176.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -117.56 164.17 15.33 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.9 0.88 . . . . 0.0 109.07 176.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -34.38 -44.17 0.18 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.328 1.451 . . . . 0.0 111.296 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 178.81 91.02 0.17 Allowed Pre-proline 0 CA--C 1.538 0.492 0 C-N-CA 124.844 1.258 . . . . 0.0 109.367 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -73.11 -178.82 3.81 Favored 'Trans proline' 0 N--CA 1.44 -1.65 0 C-N-CA 122.142 1.895 . . . . 0.0 112.903 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.51 87.78 Favored 'General case' 0 CA--C 1.529 0.144 0 O-C-N 120.77 -1.206 . . . . 0.0 110.678 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.7 17.8 3.76 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.194 175.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -45.8 -49.57 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 119.612 1.096 . . . . 0.0 109.994 175.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.45 ' HA ' ' CE2' ' A' ' 20' ' ' TYR . 61.6 mt -73.12 -47.21 46.13 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.106 -177.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.25 -21.52 9.34 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 122.983 0.513 . . . . 0.0 111.543 176.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -67.78 0.41 Allowed 'General case' 0 C--O 1.197 -1.671 0 CA-C-O 125.615 2.626 . . . . 0.0 107.316 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.498 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -66.73 -11.94 56.62 Favored 'General case' 0 C--N 1.391 2.373 0 CA-C-O 116.242 -1.837 . . . . 0.0 107.9 -173.071 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.1 -48.89 78.78 Favored 'General case' 0 C--O 1.202 -1.41 0 CA-C-O 126.211 2.91 . . . . 0.0 109.723 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.28 -31.87 45.91 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-N 113.542 -1.663 . . . . 0.0 110.362 178.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -59.46 -46.62 88.26 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 119.32 -2.112 . . . . 0.0 110.45 177.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.7 mt -62.68 -26.02 68.44 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.588 -0.695 . . . . 0.0 110.207 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -64.8 -37.37 87.39 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.353 -0.842 . . . . 0.0 110.866 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -53.93 -39.1 65.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 119.315 0.961 . . . . 0.0 110.05 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -60.76 -39.73 89.86 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 122.993 0.517 . . . . 0.0 111.062 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.6 mm -88.95 -10.04 10.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.797 0.808 . . . . 0.0 110.539 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -83.25 -2.77 56.43 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.232 1.413 . . . . 0.0 109.194 175.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.0 mt -74.83 1.63 12.14 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 172.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.51 157.36 5.12 Favored Pre-proline 0 CA--C 1.546 0.82 0 O-C-N 119.918 -1.739 . . . . 0.0 111.251 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -80.15 63.17 8.72 Favored 'Trans proline' 0 N--CA 1.442 -1.532 0 C-N-CA 123.724 2.95 . . . . 0.0 107.374 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -149.96 168.52 23.59 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.278 1.031 . . . . 0.0 108.808 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -129.81 46.32 2.66 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 121.075 0.464 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -103.59 54.88 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 120.952 -1.092 . . . . 0.0 108.356 -177.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -150.32 -50.39 0.13 Allowed 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.149 -0.478 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.209 -1.044 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -79.08 107.42 2.22 Favored 'Trans proline' 0 N--CA 1.44 -1.647 0 N-CA-C 107.398 -1.809 . . . . 0.0 107.398 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.26 141.3 30.53 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.409 -0.805 . . . . 0.0 109.422 173.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.12 68.97 81.69 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 118.78 0.718 . . . . 0.0 109.819 171.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -69.96 164.3 35.23 Favored 'Trans proline' 0 N--CA 1.449 -1.14 0 C-N-CA 121.133 1.222 . . . . 0.0 109.139 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -124.91 143.8 50.67 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.238 1.815 . . . . 0.0 107.905 177.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -174.19 91.24 0.33 Allowed Pre-proline 0 CA--C 1.531 0.227 0 C-N-CA 123.953 0.901 . . . . 0.0 109.781 174.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -70.7 154.99 63.69 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.54 2.16 . . . . 0.0 110.244 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.1 132.81 11.07 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 175.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -159.67 93.34 1.09 Allowed 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 117.84 -1.076 . . . . 0.0 110.889 165.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 50.6 t0 37.86 68.87 0.27 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.638 1.575 . . . . 0.0 114.467 176.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.653 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -179.48 -57.48 0.0 OUTLIER Pre-proline 0 C--O 1.214 -0.789 0 O-C-N 121.293 -0.879 . . . . 0.0 108.763 -167.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.653 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 35.3 Cg_endo -82.59 179.11 5.6 Favored 'Trans proline' 0 CA--C 1.533 0.475 0 C-N-CA 122.148 1.898 . . . . 0.0 111.363 177.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.85 61.5 0.07 Allowed 'General case' 0 N--CA 1.441 -0.875 0 CA-C-O 122.461 1.124 . . . . 0.0 108.084 -175.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.527 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 1.1 mt-10 -88.73 25.82 1.66 Allowed 'General case' 0 C--N 1.33 -0.251 0 O-C-N 120.518 -1.364 . . . . 0.0 111.484 172.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.35 -53.17 58.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 120.658 -1.276 . . . . 0.0 109.059 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.81 -24.48 65.86 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.086 176.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 15' ' ' GLU . . . -62.89 -42.88 99.93 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.724 -0.61 . . . . 0.0 111.366 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.34 -46.18 64.66 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 122.667 1.222 . . . . 0.0 109.169 177.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -58.93 -16.89 19.96 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 176.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.645 ' HA ' HD23 ' A' ' 24' ' ' LEU . 7.3 t80 -61.51 -52.28 65.13 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 124.761 1.224 . . . . 0.0 109.444 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -38.71 85.18 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.154 -0.967 . . . . 0.0 110.489 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.15 -51.84 68.27 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 119.127 -0.463 . . . . 0.0 110.945 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.645 HD23 ' HA ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -59.29 -26.64 65.14 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.734 1.254 . . . . 0.0 109.947 175.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -63.79 -31.5 72.7 Favored 'General case' 0 N--CA 1.44 -0.928 0 O-C-N 120.126 -1.609 . . . . 0.0 110.802 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -53.92 -34.5 59.77 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.77 0.714 . . . . 0.0 110.927 176.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -65.08 -61.22 2.27 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 122.369 1.08 . . . . 0.0 108.842 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.9 mt -60.54 -23.47 28.61 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 O-C-N 121.114 -0.991 . . . . 0.0 111.262 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -71.12 -17.99 62.54 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 121.101 -0.999 . . . . 0.0 112.614 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 tp -67.95 -3.86 11.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.452 -0.78 . . . . 0.0 111.726 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -163.43 85.56 1.32 Allowed Pre-proline 0 N--CA 1.449 -0.509 0 O-C-N 120.875 -1.14 . . . . 0.0 109.731 176.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.12 116.74 3.77 Favored 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 122.184 1.923 . . . . 0.0 107.653 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.44 100.99 0.9 Allowed 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 172.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.48 79.01 0.05 OUTLIER 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 122.961 0.504 . . . . 0.0 109.772 172.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -136.48 66.6 1.48 Allowed 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -171.98 -49.36 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.035 0 CA-C-N 117.757 0.253 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 . . . . . 0 CA--C 1.502 -0.889 0 CA-C-O 115.142 -2.361 . . . . 0.0 107.563 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -78.22 -1.06 11.25 Favored 'Trans proline' 0 N--CA 1.442 -1.53 0 O-C-N 126.494 2.839 . . . . 0.0 112.213 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.62 123.96 28.94 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 106.182 -1.785 . . . . 0.0 106.182 177.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -172.52 158.74 3.9 Favored Pre-proline 0 N--CA 1.45 -0.471 0 C-N-CA 124.351 1.061 . . . . 0.0 109.278 177.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -76.42 176.24 10.32 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 122.943 2.429 . . . . 0.0 109.829 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.09 100.55 2.93 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 -177.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 160.63 -54.9 0.0 OUTLIER Pre-proline 0 C--O 1.222 -0.363 0 C-N-CA 124.635 1.174 . . . . 0.0 108.44 -175.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -77.36 163.99 29.36 Favored 'Trans proline' 0 N--CA 1.443 -1.472 0 CA-C-O 122.753 1.064 . . . . 0.0 109.63 -176.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.74 65.47 1.34 Allowed Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 114.97 -1.014 . . . . 0.0 113.757 -177.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 179.54 51.97 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.406 0.622 . . . . 0.0 109.99 -177.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 176.64 -50.84 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.128 0 CA-C-O 117.801 -1.095 . . . . 0.0 110.404 -176.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 175.61 72.92 0.07 OUTLIER Pre-proline 0 N--CA 1.45 -0.458 0 C-N-CA 126.812 2.045 . . . . 0.0 111.083 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -77.25 146.6 25.23 Favored 'Trans proline' 0 N--CA 1.445 -1.37 0 C-N-CA 123.045 2.497 . . . . 0.0 108.878 -177.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.66 57.41 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.571 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 2.0 mp0 -94.07 19.77 8.77 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 122.182 0.991 . . . . 0.0 110.124 178.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.08 -54.39 45.31 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 120.249 -1.532 . . . . 0.0 108.134 -179.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.3 mt -66.59 -21.46 66.14 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.583 -1.19 . . . . 0.0 110.063 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 15' ' ' GLU . . . -62.23 -48.76 78.56 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.464 0.706 . . . . 0.0 109.336 175.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -66.53 -47.84 71.63 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 120.712 -1.243 . . . . 0.0 109.969 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.435 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 20.9 t80 -56.85 -16.81 7.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.577 1.18 . . . . 0.0 112.989 176.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -65.5 -45.59 82.99 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 122.439 1.114 . . . . 0.0 109.248 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.7 t -60.67 -30.34 69.84 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 120.84 -1.162 . . . . 0.0 109.986 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -62.37 -42.52 99.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 121.713 -0.617 . . . . 0.0 110.089 176.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.645 HD11 HD11 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -59.4 -29.88 68.05 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 123.61 1.672 . . . . 0.0 109.661 176.323 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -40.05 93.58 Favored 'General case' 0 N--CA 1.444 -0.728 0 O-C-N 119.613 -1.93 . . . . 0.0 110.026 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -54.62 -40.52 68.99 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 123.616 0.572 . . . . 0.0 110.12 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.61 -48.97 67.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 122.01 0.91 . . . . 0.0 110.987 178.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.645 HD11 HD11 ' A' ' 24' ' ' LEU . 97.4 mt -63.76 -18.24 21.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 120.599 -1.313 . . . . 0.0 109.996 178.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.21 1.13 57.22 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 120.735 -1.228 . . . . 0.0 112.689 174.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -68.8 -25.92 64.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 123.539 1.638 . . . . 0.0 109.099 179.38 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.21 154.96 0.57 Allowed Pre-proline 0 C--N 1.322 -0.605 0 O-C-N 120.71 -1.244 . . . . 0.0 111.295 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -73.87 59.27 4.25 Favored 'Trans proline' 0 N--CA 1.449 -1.118 0 C-N-CA 121.625 1.55 . . . . 0.0 109.948 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.07 176.96 4.45 Favored 'General case' 0 N--CA 1.434 -1.259 0 O-C-N 120.588 -1.32 . . . . 0.0 108.64 177.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.39 42.01 3.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 173.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 38.92 48.67 1.43 Allowed 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.358 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.4 t80 175.47 -49.65 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.118 0 CA-C-O 122.836 1.303 . . . . 0.0 109.631 -174.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.601 0 O-C-N 119.612 -1.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 117.448 -1.263 . . . . 0.0 109.931 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -73.89 -64.98 0.03 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.624 2.883 . . . . 0.0 106.985 -177.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 p -168.37 137.19 2.31 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -138.74 67.78 43.31 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 174.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -73.62 -19.51 21.4 Favored 'Trans proline' 0 N--CA 1.429 -2.271 0 CA-C-O 116.317 -1.618 . . . . 0.0 111.969 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 66.05 107.83 0.04 OUTLIER 'General case' 0 C--N 1.344 0.329 0 O-C-N 125.772 1.92 . . . . 0.0 108.574 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -100.72 136.96 19.74 Favored Pre-proline 0 C--O 1.244 0.794 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -79.6 -43.99 0.13 Allowed 'Trans proline' 0 N--CA 1.439 -1.733 0 N-CA-C 110.254 -0.71 . . . . 0.0 110.254 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.17 -127.27 1.85 Allowed Glycine 0 CA--C 1.511 -0.211 0 N-CA-C 107.853 -2.099 . . . . 0.0 107.853 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 62.85 162.21 0.09 Allowed 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 126.212 1.772 . . . . 0.0 109.65 -176.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 55.1 92.8 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.583 0 O-C-N 124.221 0.951 . . . . 0.0 110.13 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 44.58 72.25 1.27 Allowed Pre-proline 0 CA--C 1.546 0.794 0 CA-C-O 123.183 1.468 . . . . 0.0 109.885 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.535 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 11.7 Cg_endo -77.13 173.36 14.53 Favored 'Trans proline' 0 N--CA 1.442 -1.531 0 N-CA-C 108.69 -1.312 . . . . 0.0 108.69 -176.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 13' ' ' PRO . . . 77.22 53.38 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 122.908 1.337 . . . . 0.0 109.317 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.72 19.6 14.5 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 120.788 -1.195 . . . . 0.0 108.346 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -55.95 -33.93 65.21 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 120.34 -1.475 . . . . 0.0 110.327 174.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 20' ' ' TYR . 57.4 tp -71.03 -16.75 62.63 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-O 117.654 -1.165 . . . . 0.0 109.116 -177.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.92 -32.11 3.6 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.947 0.899 . . . . 0.0 110.601 174.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -65.29 0.69 Allowed 'General case' 0 N--CA 1.439 -1.002 0 O-C-N 121.722 -0.612 . . . . 0.0 109.415 176.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.71 ' HB2' HD12 ' A' ' 17' ' ' LEU . 55.2 m-85 -62.38 -17.53 59.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 123.773 1.749 . . . . 0.0 112.731 -178.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -48.8 -53.67 18.26 Favored 'General case' 0 C--N 1.312 -1.036 0 O-C-N 118.596 -2.565 . . . . 0.0 113.106 166.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t -59.51 -24.76 63.91 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -175.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.03 -51.58 60.78 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 122.424 0.289 . . . . 0.0 111.247 178.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mt -56.26 -24.48 43.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -45.44 90.84 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.874 175.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -57.27 -44.04 83.61 Favored 'General case' 0 C--O 1.226 -0.162 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -66.23 -47.08 74.96 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.98 0.895 . . . . 0.0 111.123 177.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.8 mt -67.05 -12.53 15.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 121.603 -0.686 . . . . 0.0 109.876 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -101.68 23.77 10.79 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 124.339 1.056 . . . . 0.0 110.599 176.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -154.3 33.49 0.42 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 123.563 1.649 . . . . 0.0 107.339 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -174.26 163.96 2.73 Favored Pre-proline 0 N--CA 1.445 -0.695 0 O-C-N 119.55 -1.969 . . . . 0.0 109.024 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 13.9 Cg_endo -75.25 125.52 9.21 Favored 'Trans proline' 0 N--CA 1.445 -1.353 0 C-N-CA 122.147 1.898 . . . . 0.0 109.628 -178.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -23.69 54.07 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.379 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -126.28 53.49 1.63 Allowed 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.29 -9.32 31.66 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 118.562 -0.732 . . . . 0.0 110.8 175.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -166.96 86.77 0.28 Allowed 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -173.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.782 0 O-C-N 120.414 -1.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.556 0 N-CA-C 104.478 -2.415 . . . . 0.0 104.478 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -78.13 -179.97 5.94 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 123.002 2.468 . . . . 0.0 109.976 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 p -174.57 141.4 0.67 Allowed 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 175.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -138.25 84.84 19.43 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -70.43 159.25 53.53 Favored 'Trans proline' 0 N--CA 1.444 -1.407 0 C-N-CA 122.169 1.913 . . . . 0.0 110.518 177.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -168.45 -58.52 0.02 OUTLIER 'General case' 0 C--O 1.231 0.086 0 O-C-N 124.631 1.207 . . . . 0.0 108.686 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 50.11 85.17 0.19 Allowed Pre-proline 0 C--N 1.332 -0.159 0 C-N-CA 124.58 1.152 . . . . 0.0 110.019 -178.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -69.23 -41.03 5.34 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 121.605 1.537 . . . . 0.0 110.64 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.83 91.05 0.22 Allowed Glycine 0 N--CA 1.433 -1.512 0 N-CA-C 108.05 -2.02 . . . . 0.0 108.05 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 167.82 161.38 0.04 OUTLIER 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 174.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 53.21 -179.41 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 125.129 1.518 . . . . 0.0 110.295 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.84 106.16 0.63 Allowed Pre-proline 0 C--O 1.239 0.541 0 C-N-CA 123.025 0.53 . . . . 0.0 110.75 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.89 -171.19 0.91 Allowed 'Trans proline' 0 N--CA 1.441 -1.579 0 C-N-CA 122.607 2.205 . . . . 0.0 108.523 -174.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.5 7.17 3.85 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.12 176.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.12 17.73 3.45 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.065 0.946 . . . . 0.0 111.505 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -175.27 -44.04 0.01 OUTLIER 'General case' 0 C--O 1.238 0.496 0 CA-C-O 123.699 1.714 . . . . 0.0 108.913 -178.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.7 tp -63.43 -25.56 68.33 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.448 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.5 -29.58 6.97 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.594 0.758 . . . . 0.0 109.873 176.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -71.46 0.18 Allowed 'General case' 0 C--O 1.266 1.936 0 CA-C-O 125.755 2.693 . . . . 0.0 107.482 172.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.561 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 49.7 t80 -60.76 -14.58 22.27 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 118.132 -2.855 . . . . 0.0 113.981 -174.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -53.26 -54.11 41.06 Favored 'General case' 0 N--CA 1.416 -2.146 0 O-C-N 125.816 1.947 . . . . 0.0 109.411 171.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -30.33 62.08 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.317 -175.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -54.29 -52.5 61.26 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 121.897 0.855 . . . . 0.0 112.609 178.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mt -53.98 -27.03 28.92 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.864 177.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.07 -47.31 85.26 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 118.862 -0.589 . . . . 0.0 110.591 174.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -53.86 -43.09 69.24 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 118.391 0.541 . . . . 0.0 109.673 -177.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -62.73 -44.18 96.89 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.188 0.518 . . . . 0.0 110.719 176.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.6 mt -74.83 -11.02 14.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 O-C-N 121.694 -0.629 . . . . 0.0 110.105 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -104.4 13.77 31.35 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.157 1.383 . . . . 0.0 109.324 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.476 ' O ' HD23 ' A' ' 30' ' ' LEU . 3.4 tt -154.33 39.61 0.46 Allowed 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -170.22 155.28 5.22 Favored Pre-proline 0 N--CA 1.447 -0.608 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.81 125.63 9.55 Favored 'Trans proline' 0 N--CA 1.44 -1.636 0 C-N-CA 122.01 1.807 . . . . 0.0 109.736 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -45.0 -56.35 4.71 Favored 'General case' 0 C--O 1.225 -0.188 0 O-C-N 124.052 0.845 . . . . 0.0 110.705 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -129.44 51.78 2.03 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.02 33.14 3.26 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 178.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -175.31 -53.28 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 123.332 1.539 . . . . 0.0 107.442 -172.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 O-C-N 121.22 -0.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.839 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.846 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -85.95 155.63 9.98 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 N-CA-C 107.767 -1.667 . . . . 0.0 107.767 -171.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -120.19 141.47 49.87 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 -177.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -54.28 153.27 9.97 Favored Pre-proline 0 N--CA 1.436 -1.167 0 CA-C-N 113.652 -1.613 . . . . 0.0 111.057 177.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -74.09 -15.59 23.09 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 122.68 2.253 . . . . 0.0 112.582 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -56.37 126.19 25.26 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 125.067 1.347 . . . . 0.0 111.321 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 158.52 -56.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 C-N-CA 127.983 2.513 . . . . 0.0 110.644 -171.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -73.85 173.45 13.97 Favored 'Trans proline' 0 N--CA 1.445 -1.373 0 C-N-CA 122.897 2.398 . . . . 0.0 110.43 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.92 -45.75 1.19 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 177.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.06 167.12 0.13 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.177 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -37.21 -52.68 1.05 Allowed 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 122.793 1.282 . . . . 0.0 111.312 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.78 107.86 0.74 Allowed Pre-proline 0 N--CA 1.425 -1.69 0 N-CA-C 105.088 -2.19 . . . . 0.0 105.088 174.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -81.94 1.36 9.27 Favored 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 122.739 2.293 . . . . 0.0 112.684 174.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.8 54.97 2.17 Favored 'General case' 0 CA--C 1.498 -1.026 0 C-N-CA 125.628 1.571 . . . . 0.0 108.448 -168.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . 0.282 0.0 OUTLIER -83.57 6.99 18.62 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 120.758 -1.214 . . . . 0.0 112.865 174.344 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.09 -70.32 0.12 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 123.29 1.519 . . . . 0.0 109.734 -169.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 pp -65.41 -21.38 66.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 113.205 -1.816 . . . . 0.0 110.76 175.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.66 93.1 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.028 1.286 . . . . 0.0 110.465 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -66.85 -51.31 57.03 Favored 'General case' 0 C--O 1.247 0.961 0 O-C-N 120.567 -1.333 . . . . 0.0 109.423 175.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.418 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 24.9 t80 -64.35 -11.41 32.09 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 121.779 0.8 . . . . 0.0 112.299 -178.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -57.41 -53.38 58.77 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 124.278 1.99 . . . . 0.0 109.853 174.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.0 -26.38 64.46 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 113.524 -1.671 . . . . 0.0 110.631 -175.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -65.76 -52.7 48.88 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.24 0.616 . . . . 0.0 111.136 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.406 HD11 ' CE2' ' A' ' 20' ' ' TYR . 1.4 mt -51.55 -35.48 41.05 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 174.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -59.25 -57.78 11.5 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-O 117.773 -1.108 . . . . 0.0 110.137 174.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -54.12 -41.85 68.8 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 119.23 0.923 . . . . 0.0 108.652 -174.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -60.37 -36.41 77.98 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.4 mt -86.64 -19.91 7.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 O-C-N 120.099 -1.625 . . . . 0.0 110.855 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.88 -8.95 59.07 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 126.502 1.921 . . . . 0.0 112.536 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.2 mp -69.35 -7.64 39.17 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.999 172.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.67 149.2 0.64 Allowed Pre-proline 0 CA--C 1.541 0.628 0 CA-C-O 118.119 -0.943 . . . . 0.0 110.924 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -72.76 63.32 3.9 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 124.548 3.499 . . . . 0.0 110.132 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? 58.06 109.18 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 125.723 1.609 . . . . 0.0 111.388 -176.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -155.0 63.11 0.64 Allowed 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 118.473 -1.291 . . . . 0.0 108.009 177.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.63 -5.61 12.17 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 114.645 -1.161 . . . . 0.0 113.935 176.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -103.78 -12.3 17.03 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 126.157 1.783 . . . . 0.0 107.945 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.562 0 O-C-N 119.415 -2.053 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.478 0.18 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 70.65 5.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.502 1.791 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 p -99.74 -51.64 3.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.991 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -128.22 86.41 58.02 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -4.12 14.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.557 1.819 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 49.4 -174.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -128.68 96.0 30.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -58.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.802 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.35 126.97 1.25 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 111.062 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -176.52 130.65 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.293 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 57.44 172.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.06 109.69 1.91 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 161.15 39.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.6 59.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.239 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -97.19 17.92 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.14 -52.0 67.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.524 ' HA ' ' CD2' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -74.8 -31.29 61.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.35 -21.0 61.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.448 ' C ' ' NH1' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -69.01 -72.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.572 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -57.25 -15.65 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.497 ' HA ' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -65.29 -40.86 94.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -22.53 67.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.025 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -64.73 -51.25 63.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.634 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -58.39 -20.99 48.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.66 -46.14 59.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -55.71 -44.68 77.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.623 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -68.85 -36.54 78.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.634 HD12 ' O ' ' A' ' 24' ' ' LEU . 29.4 mt -75.15 -11.95 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -111.31 17.86 19.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -155.84 40.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -178.04 156.47 1.07 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 112.88 3.66 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.83 142.35 8.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 74.88 78.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -112.58 -95.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.24 92.03 8.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 116.748 -1.596 . . . . 0.0 113.361 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -79.39 -71.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.562 0 CA-C-N 121.763 1.665 . . . . 0.0 108.315 -172.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t 46.86 55.55 7.74 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.504 1.522 . . . . 0.0 111.061 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.57 -56.83 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.509 0 C-N-CA 124.505 1.122 . . . . 0.0 112.101 -172.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -77.11 147.65 26.64 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.564 2.843 . . . . 0.0 109.512 174.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -167.71 166.02 13.98 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 128.242 2.617 . . . . 0.0 107.479 -175.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -109.3 106.33 58.48 Favored Pre-proline 0 CA--C 1.536 0.433 0 C-N-CA 126.615 1.966 . . . . 0.0 106.28 175.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -82.14 -39.04 0.17 Allowed 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.9 2.4 . . . . 0.0 111.514 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.74 173.4 16.02 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 108.1 -2.0 . . . . 0.0 108.1 -177.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -177.54 69.48 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.577 1.951 . . . . 0.0 107.291 -172.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -179.77 -73.45 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.867 2.067 . . . . 0.0 107.617 177.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.55 66.24 1.09 Allowed Pre-proline 0 N--CA 1.445 -0.722 0 C-N-CA 126.242 1.817 . . . . 0.0 109.831 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -72.55 140.49 33.04 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 122.07 1.847 . . . . 0.0 109.686 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.82 -69.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -92.59 22.3 4.78 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.044 0.938 . . . . 0.0 111.768 178.214 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -63.94 -61.92 1.97 Allowed 'General case' 0 C--O 1.239 0.547 0 CA-C-O 122.764 1.268 . . . . 0.0 108.963 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.646 HD12 ' HB2' ' A' ' 20' ' ' TYR . 63.5 tp -56.2 -26.57 51.4 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.109 173.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 15' ' ' GLU . . . -48.88 -32.88 9.63 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.156 1.344 . . . . 0.0 111.481 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -63.67 1.13 Allowed 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 119.213 -0.995 . . . . 0.0 109.783 173.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.646 ' HB2' HD12 ' A' ' 17' ' ' LEU . 2.0 m-30 -60.14 -15.92 27.96 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -178.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.8 -46.04 91.24 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 113.849 -1.523 . . . . 0.0 108.383 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.16 -29.25 30.38 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.323 -0.86 . . . . 0.0 112.036 179.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -61.8 -54.48 41.75 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.933 0.493 . . . . 0.0 110.64 177.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.2 mt -59.8 -32.72 70.89 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 122.015 0.912 . . . . 0.0 109.63 175.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -46.66 83.98 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 117.913 -1.041 . . . . 0.0 111.357 172.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -54.18 -46.58 72.39 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.845 1.202 . . . . 0.0 110.739 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -53.8 -42.24 68.16 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.417 0.687 . . . . 0.0 109.889 176.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.93 -10.33 11.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.739 0.815 . . . . 0.0 111.676 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.3 -12.83 45.37 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 119.768 -1.832 . . . . 0.0 110.497 175.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.37 -7.17 22.78 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 178.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.796 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -172.14 -59.72 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.34 0 C-N-CA 124.996 1.318 . . . . 0.0 108.715 -176.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.796 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 15.1 Cg_endo -78.07 51.41 3.65 Favored 'Trans proline' 0 CA--C 1.548 1.2 0 C-N-CA 121.801 1.668 . . . . 0.0 113.383 -178.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -52.35 60.39 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 123.852 0.861 . . . . 0.0 111.023 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.23 79.0 0.07 Allowed 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.666 1.186 . . . . 0.0 107.928 -177.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -112.76 39.8 2.43 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.77 -0.581 . . . . 0.0 110.194 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -151.44 96.53 2.29 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-O 122.897 1.332 . . . . 0.0 107.514 -173.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.758 0 O-C-N 119.758 -1.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 N--CA 1.476 0.835 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -71.07 -173.5 0.92 Allowed 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 121.655 1.57 . . . . 0.0 112.288 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.7 p -151.0 105.57 3.26 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-O 116.215 -1.85 . . . . 0.0 106.359 177.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -33.91 97.2 0.11 Allowed Pre-proline 0 N--CA 1.452 -0.331 0 O-C-N 124.679 1.237 . . . . 0.0 112.076 175.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -76.94 -19.32 14.04 Favored 'Trans proline' 0 N--CA 1.443 -1.489 0 C-N-CA 122.39 2.06 . . . . 0.0 107.696 -175.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -174.79 -52.95 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 178.15 126.99 0.2 Allowed Pre-proline 0 N--CA 1.446 -0.65 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.044 -177.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -66.37 -174.25 0.42 Allowed 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 123.234 2.623 . . . . 0.0 109.891 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.29 119.18 0.49 Allowed Glycine 0 C--O 1.219 -0.808 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 177.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -170.61 169.22 7.29 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 t0 76.99 -60.49 0.46 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.52 1.528 . . . . 0.0 107.877 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -174.56 84.33 0.34 Allowed Pre-proline 0 N--CA 1.443 -0.801 0 CA-C-O 117.64 -1.171 . . . . 0.0 110.906 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -70.81 132.3 21.38 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 124.007 3.138 . . . . 0.0 110.415 -176.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -178.33 54.32 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.504 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 5.1 mt-10 -92.79 19.5 7.52 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.645 0.736 . . . . 0.0 110.444 175.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -59.23 -52.37 65.96 Favored 'General case' 0 N--CA 1.442 -0.852 0 O-C-N 120.368 -1.457 . . . . 0.0 109.615 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -35.45 77.82 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.269 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 15' ' ' GLU . . . -54.2 -23.08 13.19 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 173.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 -68.79 -78.78 0.06 Allowed 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -50.66 -15.33 0.26 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 124.489 2.09 . . . . 0.0 116.221 -178.146 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.631 ' HA ' HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -62.5 -46.94 86.17 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 111.632 -2.531 . . . . 0.0 109.769 177.403 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -56.28 -27.1 54.2 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -178.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 20' ' ' TYR . . . -65.66 -54.66 24.55 Favored 'General case' 0 N--CA 1.442 -0.874 0 O-C-N 121.084 -1.01 . . . . 0.0 110.197 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.631 HD23 ' HA ' ' A' ' 21' ' ' TYR . 0.5 OUTLIER -59.57 -26.74 65.66 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.37 -0.831 . . . . 0.0 110.421 176.486 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -66.35 -40.47 89.82 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-O 118.077 -0.963 . . . . 0.0 108.654 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -54.07 -51.24 64.75 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -66.86 -47.71 71.07 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 124.722 1.209 . . . . 0.0 110.542 -175.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -54.97 -24.5 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.108 176.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -103.46 28.89 6.06 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 124.71 1.204 . . . . 0.0 111.942 176.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.62 24.9 0.34 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 -176.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -170.94 85.17 0.51 Allowed Pre-proline 0 N--CA 1.45 -0.434 0 O-C-N 120.194 -1.566 . . . . 0.0 108.631 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -74.52 123.95 8.5 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 122.322 2.015 . . . . 0.0 109.789 -178.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.54 96.87 0.11 Allowed 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 64.46 70.51 0.49 Allowed 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 178.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -114.1 57.5 0.69 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 121.599 -0.688 . . . . 0.0 110.691 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -171.31 44.56 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.508 0 O-C-N 123.596 0.56 . . . . 0.0 109.795 -175.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 O-C-N 121.563 -0.711 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_