data_1d8b_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 1d8b _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 ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 CA--C 1.519 -0.241 0 N-CA-C 109.495 -0.557 . . . . 2.92 109.495 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -35.24 77.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.731 -0.668 . . . . 1.5 110.084 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -39.27 79.92 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.14 -0.689 . . . . 4.29 109.14 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -66.49 -34.07 77.11 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.887 -0.782 . . . . 3.42 108.887 178.287 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.606 HG21 ' HA ' ' A' ' 50' ' ' ALA . 36.2 m -66.09 -52.68 46.49 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.388 -0.824 . . . . 0.97 110.309 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -57.5 -39.92 77.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.75 -0.659 . . . . 1.04 110.786 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.77 -43.05 66.4 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.911 -0.586 . . . . 2.35 110.625 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -61.65 -33.21 73.55 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.235 0.54 . . . . 4.27 110.015 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.82 ' HB3' HD21 ' A' ' 46' ' ' LEU . 2.6 mt -71.36 -41.11 70.14 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.388 -0.824 . . . . 1.11 109.673 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -62.89 -41.42 99.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.345 0.593 . . . . 3.91 110.245 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -70.75 -36.74 73.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.666 -0.697 . . . . 2.36 111.003 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.762 HD11 HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -73.75 -38.45 64.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.865 -0.607 . . . . 1.13 110.681 -178.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.695 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 18.8 m -62.44 -39.06 92.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.691 0.282 . . . . 1.42 110.68 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mp -77.85 -29.45 50.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.162 0.506 . . . . 1.25 110.485 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -70.06 -60.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.879 -0.6 . . . . 1.69 110.921 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.762 HD12 HD11 ' A' ' 25' ' ' LEU . 13.5 mt -66.42 -31.76 72.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.023 0.44 . . . . 1.12 110.776 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.618 ' HA2' HG22 ' A' ' 37' ' ' VAL . . . -62.5 -34.97 91.06 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.553 -0.832 . . . . 0.65 113.014 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -87.56 -11.96 47.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.376 0.608 . . . . 1.94 110.094 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -90.39 -3.1 57.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.845 -0.616 . . . . 4.39 110.216 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.7 ttm -97.11 142.74 28.68 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.446 -0.576 . . . . 2.38 109.446 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.1 t -121.92 115.61 30.49 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 120.804 -0.358 . . . . 2.36 110.553 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.11 158.34 93.84 Favored 'Cis proline' 0 C--O 1.237 0.45 0 C-N-CA 123.403 -1.499 . . . . 2.14 112.207 0.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -50.88 140.19 39.17 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.918 2.412 . . . . 1.42 112.731 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.618 HG22 ' HA2' ' A' ' 30' ' ' GLY . 1.2 t -76.99 -41.22 31.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.237 -0.892 . . . . 2.02 111.846 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.79 -62.44 4.55 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 109.832 -1.307 . . . . 1.61 109.832 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -115.41 80.9 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.554 -0.906 . . . . 2.77 108.554 177.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.695 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 27.9 t80 -60.75 -42.87 98.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.632 -0.713 . . . . 0.52 110.256 -178.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.652 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 7.0 tpp -146.51 125.1 6.34 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 115.351 -0.841 . . . . 1.11 109.329 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.85 147.38 92.74 Favored 'Trans proline' 0 C--O 1.239 0.572 0 C-N-CA 122.736 2.291 . . . . 0.37 112.183 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.532 ' HA ' HD12 ' A' ' 46' ' ' LEU . 18.5 t70 -51.25 -39.97 57.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.347 -0.842 . . . . 1.51 111.746 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.562 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -64.1 -47.56 79.55 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.547 -0.297 . . . . 0.97 111.344 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.4 mm -64.73 -38.29 82.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.511 0.196 . . . . 1.16 110.727 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.82 HD21 ' HB3' ' A' ' 22' ' ' LEU . 26.6 mt -60.78 -35.75 77.24 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-O 120.896 0.379 . . . . 1.05 110.123 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -69.46 -55.53 9.99 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.815 0.672 . . . . 1.44 112.815 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -65.38 -41.16 94.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.65 0.262 . . . . 1.43 111.529 -178.498 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.673 ' SD ' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -66.95 -30.32 70.42 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.672 -0.411 . . . . 1.07 110.857 -179.394 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.606 ' HA ' HG21 ' A' ' 18' ' ' THR . . . -73.78 -30.05 62.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.702 0.286 . . . . 1.05 111.601 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.93 -42.73 12.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.13 0.49 . . . . 1.12 112.119 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.523 HG21 ' HG3' ' A' ' 54' ' ' PRO . 1.2 mp -80.79 -34.37 13.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.79 -0.364 . . . . 1.11 110.826 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.464 HD22 ' HB2' ' A' ' 84' ' ' LEU . 28.4 mt 49.81 68.35 3.55 Favored Pre-proline 0 N--CA 1.466 0.332 0 CA-C-N 115.528 -0.76 . . . . 1.12 111.513 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.523 ' HG3' HG21 ' A' ' 52' ' ' ILE . 2.3 Cg_endo -79.37 119.02 4.05 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.926 2.417 . . . . 0.49 111.196 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.449 ' HG2' ' HA ' ' A' ' 82' ' ' ALA . 8.1 mtp -96.32 8.53 43.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.042 -0.526 . . . . 1.97 111.649 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -152.25 157.61 41.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.509 -0.314 . . . . 3.03 111.066 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -35.61 80.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.077 -0.511 . . . . 2.68 110.37 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -23.12 66.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.873 -0.603 . . . . 1.47 110.387 179.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.91 -30.6 16.8 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.03 -0.532 . . . . 1.31 110.494 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.97 -26.53 6.1 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.475 -0.784 . . . . 0.51 112.299 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.55 -21.01 59.67 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.308 0.485 . . . . 1.31 112.308 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.5 p -79.99 -1.99 42.05 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.948 0.404 . . . . 1.62 111.585 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 49' ' ' MET . 13.6 mt -76.8 -3.43 38.29 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.147 0.499 . . . . 1.08 109.94 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.2 -70.99 3.01 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.764 -0.653 . . . . 1.61 112.671 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.81 98.83 3.01 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.319 0.859 . . . . 2.96 113.319 -178.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.2 m -116.47 121.67 68.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.792 -0.818 . . . . 1.27 108.792 176.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.427 ' HB3' ' HG2' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -55.07 151.35 9.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.933 -0.576 . . . . 2.42 110.588 -178.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.77 -33.14 72.51 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.798 -0.445 . . . . 1.72 109.798 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.427 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -70.55 -27.28 64.03 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.669 -0.696 . . . . 2.44 109.642 178.426 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -76.08 -34.58 59.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.658 -0.701 . . . . 1.91 109.213 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.75 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 3.5 ttp180 -64.58 -32.91 74.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.422 -0.808 . . . . 3.25 111.166 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.532 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 11.9 mtp-105 -63.66 -67.78 0.4 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.45 -0.341 . . . . 5.06 111.846 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -5.5 5.42 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.118 0.485 . . . . 2.23 111.888 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.75 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -58.1 -35.11 70.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.119 -0.946 . . . . 0.39 110.108 177.351 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 12.8 ptpt -55.34 -23.81 25.91 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.991 -1.004 . . . . 2.23 112.606 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.618 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 35.7 m-85 -83.58 -5.75 59.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.892 0.377 . . . . 1.46 111.581 -179.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.652 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 1.9 m-85 -107.67 -15.53 14.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.271 -0.422 . . . . 0.34 111.8 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -51.35 -36.53 43.4 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.38 0.881 . . . . 2.06 113.38 -177.588 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.76 -32.36 73.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.757 0.313 . . . . 1.26 111.662 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.868 HG23 HD12 ' A' ' 84' ' ' LEU . 2.5 m -86.75 -43.32 12.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.57 -0.286 . . . . 1.26 111.078 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 77' ' ' PHE . 36.3 mt -59.81 -42.61 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 120.816 0.341 . . . . 1.12 110.732 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.449 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -62.13 -38.88 90.64 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.24 -0.436 . . . . 1.26 111.498 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.14 -46.98 66.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.842 -0.617 . . . . 1.4 111.409 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.868 HD12 HG23 ' A' ' 80' ' ' THR . 4.9 mt -69.89 -30.43 67.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.36 . . . . 1.2 111.532 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.2 t -71.5 -29.69 65.1 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.433 0.635 . . . . 1.68 109.571 178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.53 -39.07 32.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.439 -0.8 . . . . 3.53 109.929 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt . . . . . 0 C--O 1.235 0.301 0 CA-C-N 115.861 -0.609 . . . . 3.36 111.509 -179.399 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 121.274 0.559 . . . . 2.92 109.531 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -55.99 -29.69 60.69 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.253 -0.885 . . . . 1.5 111.008 178.52 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.2 ttp85 -63.16 -38.81 92.64 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.591 -0.522 . . . . 4.29 109.591 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.556 ' HE1' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -64.22 -35.47 80.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.869 -0.605 . . . . 3.42 109.832 178.476 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -67.25 -49.16 65.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.468 -0.787 . . . . 0.97 110.224 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.596 ' HH ' ' HE ' ' A' ' 23' ' ' ARG . 78.9 t80 -67.66 -39.81 84.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.816 -0.629 . . . . 1.04 111.255 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -67.05 -36.87 83.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.47 -0.332 . . . . 2.35 110.69 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.556 ' HD3' ' HE1' ' A' ' 17' ' ' MET . 0.0 OUTLIER -68.2 -31.3 70.72 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.385 -0.598 . . . . 4.27 109.385 179.162 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.717 ' HB3' HD21 ' A' ' 46' ' ' LEU . 6.9 mt -75.59 -37.47 59.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.225 -0.898 . . . . 1.11 110.086 178.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.596 ' HE ' ' HH ' ' A' ' 19' ' ' TYR . 4.3 tpt85 -69.51 -35.41 75.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.205 0.526 . . . . 3.91 110.367 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -37.89 58.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.796 -0.638 . . . . 2.36 110.062 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.667 HD11 ' CE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -72.25 -35.4 68.79 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.552 -0.536 . . . . 1.13 109.552 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.549 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 43.4 t -66.52 -40.83 89.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 1.42 111.215 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 mp -76.54 -30.87 57.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.783 0.325 . . . . 1.25 111.166 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -76.32 -54.44 6.77 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.138 -0.483 . . . . 1.69 110.545 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.665 HD13 HD12 ' A' ' 25' ' ' LEU . 24.2 mt -61.35 -40.29 93.71 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 120.866 0.365 . . . . 1.12 110.341 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.3 -29.15 70.6 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.88 -0.676 . . . . 0.65 112.905 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -95.82 -13.09 24.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 117.258 0.529 . . . . 1.94 110.702 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -94.2 -5.88 46.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.519 0.676 . . . . 4.39 110.344 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 17.1 mtp -93.96 154.68 17.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.395 -0.821 . . . . 2.38 109.999 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.426 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 47.8 t -121.57 115.86 30.85 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.643 -0.502 . . . . 2.36 109.643 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 6.5 Cg_endo -85.93 156.61 56.86 Favored 'Cis proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.446 -1.481 . . . . 2.14 112.084 0.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_exo -46.74 117.83 2.32 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.901 2.401 . . . . 1.42 112.28 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 t -71.39 -34.48 53.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.012 -0.995 . . . . 2.02 111.81 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.17 -68.15 3.61 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.676 -0.969 . . . . 1.61 110.676 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -111.55 81.65 1.48 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.479 -0.934 . . . . 2.77 108.479 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.637 ' HZ ' ' HB2' ' A' ' 76' ' ' TYR . 37.3 t80 -56.89 -48.81 77.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.247 -0.888 . . . . 0.52 110.799 -178.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.731 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 2.2 tpp -136.38 122.05 13.45 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.35 -0.611 . . . . 1.11 109.35 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -56.73 144.16 87.65 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.775 2.316 . . . . 0.37 112.191 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -39.32 63.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.824 -0.626 . . . . 1.51 111.89 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.618 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -63.41 -40.65 97.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.385 -0.37 . . . . 0.97 111.263 179.866 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.2 mm -71.71 -36.63 59.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.26 -0.427 . . . . 1.16 110.777 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.717 HD21 ' HB3' ' A' ' 22' ' ' LEU . 76.1 mt -63.36 -40.46 97.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.302 -0.408 . . . . 1.05 110.807 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -64.01 -48.24 77.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 1.44 111.629 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 44' ' ' SER . 12.9 ptpt -71.74 -40.67 69.23 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.797 -0.361 . . . . 1.43 111.837 -179.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.586 ' SD ' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -67.26 -29.01 68.51 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.996 -0.282 . . . . 1.07 111.017 -179.421 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.508 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -83.07 -32.89 26.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.835 0.35 . . . . 1.05 111.155 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.441 ' HA ' HD12 ' A' ' 15' ' ' LEU . . . -76.92 -37.18 55.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.184 -0.462 . . . . 1.12 111.485 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.2 mp -94.95 -35.21 5.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.98 -0.554 . . . . 1.11 111.209 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' A' ' 53' ' ' LEU . 18.6 mt 50.61 72.38 1.25 Allowed Pre-proline 0 N--CA 1.465 0.319 0 O-C-N 123.583 0.552 . . . . 1.12 110.813 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.459 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 11.8 Cg_endo -91.81 106.74 0.25 Allowed 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.575 2.85 . . . . 0.49 113.373 -178.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.514 ' HG2' HG22 ' A' ' 81' ' ' ILE . 34.9 mmm -99.86 30.7 3.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.635 0.255 . . . . 1.97 111.069 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.6 146.2 22.06 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.217 -0.66 . . . . 3.03 109.217 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -54.16 -44.65 71.65 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 113.428 0.899 . . . . 2.68 113.428 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.54 -33.94 75.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.366 0.603 . . . . 1.47 111.32 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.97 -30.34 50.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.002 -0.544 . . . . 1.31 110.906 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.473 ' HD1' ' HA ' ' A' ' 60' ' ' PHE . 0.1 OUTLIER -59.36 -25.14 63.98 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.821 0.343 . . . . 0.51 111.91 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.04 -24.88 64.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.54 . . . . 1.31 112.001 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.6 p -70.02 -13.66 62.33 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.085 0.469 . . . . 1.62 111.491 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.478 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 49.2 mt -80.53 11.2 3.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.154 -0.476 . . . . 1.08 110.537 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.8 38.08 8.24 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 109.795 -1.322 . . . . 1.61 109.795 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.0 p 49.35 78.49 0.09 Allowed 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.743 0.817 . . . . 2.96 111.306 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.2 m -59.89 133.05 25.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.792 -0.64 . . . . 1.27 111.005 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -68.17 162.43 24.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.274 -0.875 . . . . 2.42 110.342 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.415 ' O ' ' HD2' ' A' ' 72' ' ' ARG . 5.0 t70 -59.69 -36.12 75.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.711 -0.222 . . . . 1.72 111.41 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -26.63 64.74 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.856 0.36 . . . . 2.44 110.654 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.406 ' O ' ' HD3' ' A' ' 73' ' ' ARG . 96.6 m-85 -84.49 -31.42 24.51 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.506 -0.553 . . . . 1.91 109.506 178.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.507 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -67.95 -40.09 83.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.252 -0.885 . . . . 3.25 111.576 179.588 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.415 ' HD2' ' O ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -56.3 -44.65 80.09 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.606 0.595 . . . . 5.06 112.606 -178.275 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.406 ' HD3' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -93.33 -4.32 51.85 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.464 -0.494 . . . . 2.23 109.795 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.513 ' HE1' ' HE1' ' A' ' 49' ' ' MET . 0.1 OUTLIER -58.79 -35.28 72.56 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.807 -0.633 . . . . 0.39 110.979 179.208 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.714 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -59.04 -23.16 61.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.631 -0.713 . . . . 2.23 111.992 -179.574 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.637 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 74.0 m-85 -78.02 -6.93 56.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.885 0.374 . . . . 1.46 110.894 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.731 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.8 OUTLIER -113.43 -17.6 12.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.09 0.471 . . . . 0.34 110.159 179.141 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.714 ' HD3' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -54.65 -29.3 52.05 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.007 0.743 . . . . 2.06 113.007 -178.703 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.46 -34.36 70.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.737 0.303 . . . . 1.26 110.591 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.735 HG23 HD11 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -86.67 -39.74 15.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.715 -0.221 . . . . 1.26 111.019 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 77' ' ' PHE . 63.4 mt -58.45 -43.09 85.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.257 -0.429 . . . . 1.12 110.082 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 78' ' ' LYS . . . -60.38 -39.65 88.02 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.779 -0.646 . . . . 1.26 111.849 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -76.63 -46.48 25.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.245 -0.434 . . . . 1.4 111.62 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.735 HD11 HG23 ' A' ' 80' ' ' THR . 21.5 mt -61.92 -30.71 71.08 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 112.271 0.471 . . . . 1.2 112.271 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.5 p -74.08 -27.49 60.93 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 120.844 0.354 . . . . 1.68 110.63 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -97.96 7.33 46.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 3.53 110.84 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.464 0.265 0 CA-C-N 116.421 -0.354 . . . . 3.36 111.44 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 p30 . . . . . 0 N--CA 1.46 0.041 0 N-CA-C 112.241 0.46 . . . . 2.92 112.241 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -40.25 93.62 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 121.125 -0.23 . . . . 1.5 111.21 -178.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -39.16 87.03 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.575 -0.528 . . . . 4.29 109.575 178.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -33.4 75.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.904 -0.589 . . . . 3.42 110.108 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.454 HG21 HD23 ' A' ' 53' ' ' LEU . 21.9 m -63.11 -53.29 55.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.514 -0.766 . . . . 0.97 110.074 178.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.413 ' CE1' ' HG3' ' A' ' 47' ' ' LYS . 44.6 t80 -63.14 -41.55 99.32 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.975 0.417 . . . . 1.04 110.543 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -64.41 -39.4 93.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.259 -0.428 . . . . 2.35 111.403 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -69.31 -34.45 74.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.365 . . . . 4.27 110.691 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.679 ' HB3' HD23 ' A' ' 46' ' ' LEU . 6.9 mt -72.02 -34.44 68.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.795 -0.639 . . . . 1.11 109.568 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -72.62 -36.43 68.06 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.802 -0.635 . . . . 3.91 109.985 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.05 -37.71 78.7 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.026 -0.731 . . . . 2.36 109.026 178.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.642 HD22 HD13 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -69.1 -37.71 78.57 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.385 -0.825 . . . . 1.13 109.151 178.832 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.569 ' HG ' ' HZ ' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -64.76 -36.29 83.84 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.495 -0.775 . . . . 1.42 111.377 179.632 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 mp -74.16 -30.49 62.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.185 0.517 . . . . 1.25 110.215 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -77.7 -59.61 2.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.894 -0.594 . . . . 1.69 111.345 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.642 HD13 HD22 ' A' ' 25' ' ' LEU . 53.1 mt -62.54 -33.53 75.1 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.01 0.433 . . . . 1.12 111.066 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.468 ' HA2' HG21 ' A' ' 37' ' ' VAL . . . -62.99 -44.38 97.48 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.885 -0.674 . . . . 0.65 113.857 -178.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -83.33 -13.37 55.19 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.224 0.535 . . . . 1.94 110.99 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -90.28 -6.15 55.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.302 0.572 . . . . 4.39 110.743 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.3 ttm -96.76 152.49 18.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.47 -0.786 . . . . 2.38 109.208 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 t -132.1 120.68 17.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.351 -0.24 . . . . 2.36 110.351 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -69.3 147.2 83.2 Favored 'Cis proline' 0 C--O 1.234 0.312 0 C-N-CA 123.8 -1.333 . . . . 2.14 111.451 -0.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.82 130.12 38.67 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.33 2.02 . . . . 1.42 112.787 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.468 HG21 ' HA2' ' A' ' 30' ' ' GLY . 0.9 OUTLIER -75.74 -21.14 15.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.413 -0.812 . . . . 2.02 110.446 -179.605 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.1 -74.26 1.66 Allowed Glycine 0 CA--C 1.508 -0.372 0 N-CA-C 109.452 -1.459 . . . . 1.61 109.452 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -111.87 75.2 0.9 Allowed 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.048 -1.093 . . . . 2.77 108.048 176.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.571 ' CE2' HD11 ' A' ' 29' ' ' LEU . 13.4 t80 -22.38 -72.49 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 O-C-N 124.682 1.239 . . . . 0.52 111.459 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.88 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 8.3 tpp -108.89 133.65 20.62 Favored Pre-proline 0 N--CA 1.443 -0.8 0 N-CA-C 109.183 -0.673 . . . . 1.11 109.183 177.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.72 146.45 92.19 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.193 1.929 . . . . 0.37 112.175 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.33 -39.28 56.63 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.939 -0.573 . . . . 1.51 111.699 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.509 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -63.51 -47.0 83.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.799 -0.637 . . . . 0.97 111.356 -179.679 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.533 ' O ' ' HB3' ' A' ' 49' ' ' MET . 1.4 mm -67.24 -38.75 81.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.344 -0.389 . . . . 1.16 111.143 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.831 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 60.8 mt -60.87 -37.49 82.31 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.784 0.326 . . . . 1.05 111.087 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.413 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 12.7 mtmt -69.26 -46.33 67.52 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.464 0.542 . . . . 1.44 112.464 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 44' ' ' SER . 7.9 ptpt -69.5 -40.17 77.16 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.094 0.474 . . . . 1.43 110.634 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.831 ' SD ' ' HA ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -65.69 -31.69 72.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.786 -0.643 . . . . 1.07 110.704 179.857 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -80.5 -33.24 36.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.641 0.258 . . . . 1.05 111.362 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.0 -43.59 29.08 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.067 -0.253 . . . . 1.12 111.493 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 mp -84.57 -34.58 9.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.441 -0.345 . . . . 1.11 110.498 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.566 HD13 ' HA ' ' A' ' 85' ' ' SER . 15.5 mt 52.89 72.09 1.26 Allowed Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.75 -0.659 . . . . 1.12 111.429 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.81 106.76 2.19 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 123.081 2.521 . . . . 0.49 112.31 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.489 ' HE1' ' HB1' ' A' ' 82' ' ' ALA . 1.6 mtp -82.76 -29.14 29.9 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.664 -0.698 . . . . 1.97 110.851 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -120.76 169.4 10.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.063 -0.517 . . . . 3.03 110.974 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.22 -28.77 68.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.048 -0.524 . . . . 2.68 110.679 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -35.57 77.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.451 0.643 . . . . 1.47 109.44 178.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.78 -26.46 62.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.518 -0.764 . . . . 1.31 110.656 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.657 ' HE2' ' HE3' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -64.17 -25.01 67.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.677 -0.692 . . . . 0.51 111.278 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.86 -25.86 68.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.434 -0.348 . . . . 1.31 111.516 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.99 0.47 31.48 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.751 -0.38 . . . . 1.62 111.698 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.511 HD11 ' CD1' ' A' ' 60' ' ' PHE . 5.7 mt -83.3 -18.86 37.56 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.475 0.655 . . . . 1.08 109.299 178.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.08 -102.42 0.93 Allowed Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 115.283 -0.872 . . . . 1.61 111.035 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.5 106.53 4.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.651 0.225 . . . . 2.96 111.3 179.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.462 HG11 ' HE2' ' A' ' 74' ' ' PHE . 16.7 m -109.95 122.46 64.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.729 -0.471 . . . . 1.27 109.729 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -68.28 168.18 12.92 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.168 -0.469 . . . . 2.42 110.838 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -54.5 -38.43 66.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.751 -0.659 . . . . 1.72 111.104 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.69 -27.7 69.39 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.895 0.379 . . . . 2.44 111.013 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.464 ' O ' ' HD2' ' A' ' 73' ' ' ARG . 73.9 m-85 -81.36 -37.6 27.98 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.231 -0.44 . . . . 1.91 110.216 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.447 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 14.2 mtt85 -69.5 -34.94 75.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.266 0.555 . . . . 3.25 109.842 178.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -34.25 77.55 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.466 -0.788 . . . . 5.06 111.718 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.464 ' HD2' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -99.07 -4.13 33.1 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.681 0.753 . . . . 2.23 110.109 179.413 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.462 ' HE2' HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -68.28 -34.9 77.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.366 -0.833 . . . . 0.39 110.648 179.094 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.497 ' HA ' ' HG3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -59.5 -26.06 64.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.951 -0.568 . . . . 2.23 111.313 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.525 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 28.5 m-85 -76.81 -7.79 56.11 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.304 0.573 . . . . 1.46 110.241 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.88 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.3 OUTLIER -111.79 -18.48 12.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.306 -0.861 . . . . 0.34 111.059 179.32 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.657 ' HE3' ' HE2' ' A' ' 60' ' ' PHE . 2.7 mttp -57.59 -32.2 66.94 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.323 0.86 . . . . 2.06 113.323 -177.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.3 -31.11 65.41 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.783 -0.367 . . . . 1.26 111.665 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 m -90.48 -40.0 12.27 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.906 -0.588 . . . . 1.26 111.362 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 77' ' ' PHE . 50.0 mt -59.41 -43.62 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.777 0.323 . . . . 1.12 110.365 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.489 ' HB1' ' HE1' ' A' ' 55' ' ' MET . . . -65.98 -34.2 77.56 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.223 -0.444 . . . . 1.26 111.458 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -70.53 -40.63 73.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.348 -0.387 . . . . 1.4 110.486 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.2 mt -70.27 -31.43 68.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.403 0.52 . . . . 1.2 112.403 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.566 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -73.16 -35.09 66.38 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.796 0.332 . . . . 1.68 111.34 -179.104 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -71.55 -38.32 71.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.338 -0.392 . . . . 3.53 110.063 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.08 -0.509 . . . . 3.36 110.699 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 N--CA 1.462 0.171 0 CA-C-O 120.397 0.142 . . . . 2.92 110.967 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.555 HD21 ' HA ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -57.98 -31.18 66.67 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.182 0.515 . . . . 1.5 110.331 179.806 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.3 -38.74 88.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.617 -0.719 . . . . 4.29 110.177 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.42 -36.0 80.39 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.064 -0.516 . . . . 3.42 109.826 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 m -60.46 -51.95 67.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.732 -0.667 . . . . 0.97 110.94 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -62.24 -42.03 98.96 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.961 -0.563 . . . . 1.04 110.464 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -62.46 -46.81 86.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 2.35 110.289 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -61.19 -35.19 76.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.7 -0.682 . . . . 4.27 111.258 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.812 ' HB3' HD22 ' A' ' 46' ' ' LEU . 3.3 mt -73.01 -36.94 67.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.557 -0.292 . . . . 1.11 111.038 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -71.63 -38.99 70.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.072 0.463 . . . . 3.91 110.053 179.404 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.86 -34.02 73.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.908 -0.587 . . . . 2.36 110.096 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.647 HD12 HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -75.8 -32.26 59.79 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.336 -0.616 . . . . 1.13 109.336 179.103 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.745 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -64.4 -36.68 84.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.432 0.634 . . . . 1.42 109.649 179.138 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mp -77.7 -29.9 51.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.831 -0.622 . . . . 1.25 110.809 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -76.84 -60.27 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 1.69 111.124 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.647 HD12 HD12 ' A' ' 25' ' ' LEU . 53.5 mt -59.81 -35.11 74.03 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 120.589 0.233 . . . . 1.12 111.097 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.25 -34.52 84.87 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.878 -0.677 . . . . 0.65 112.84 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -95.68 -16.46 21.99 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.268 0.556 . . . . 1.94 110.005 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.35 -8.21 59.45 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.821 -0.627 . . . . 4.39 109.499 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.41 144.29 26.47 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.991 -1.004 . . . . 2.38 109.393 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.3 t -131.31 110.87 15.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.034 -0.728 . . . . 2.36 109.034 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -73.89 152.24 98.01 Favored 'Cis proline' 0 C--N 1.344 0.339 0 C-N-CA 123.146 -1.606 . . . . 2.14 112.7 0.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -55.58 144.54 74.06 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.202 2.602 . . . . 1.42 112.685 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.0 t -85.98 -31.06 6.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.557 -0.747 . . . . 2.02 111.028 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.12 -79.38 1.72 Allowed Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 110.011 -1.236 . . . . 1.61 110.011 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -102.04 87.1 3.01 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.925 -1.139 . . . . 2.77 107.925 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.745 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 5.0 t80 -57.78 -86.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.48 -0.782 . . . . 0.52 110.944 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.709 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 23.0 tpp -111.14 135.5 20.9 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 109.884 -0.413 . . . . 1.11 109.884 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.551 ' HG2' ' HE2' ' A' ' 70' ' ' TYR . 19.1 Cg_exo -65.75 147.92 86.18 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.603 2.202 . . . . 0.37 111.525 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.437 ' HA ' HD13 ' A' ' 46' ' ' LEU . 31.1 t70 -52.93 -38.27 61.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.649 -0.705 . . . . 1.51 111.417 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -55.18 37.38 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.666 -0.697 . . . . 0.97 111.316 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.9 mm -63.26 -38.47 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.535 -0.302 . . . . 1.16 111.183 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.824 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 89.0 mt -56.61 -35.93 68.85 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.843 0.354 . . . . 1.05 110.874 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -75.31 -44.19 46.8 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.893 0.701 . . . . 1.44 112.893 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HB2' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -70.56 -40.79 73.15 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 119.888 -0.725 . . . . 1.43 110.049 179.698 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.824 ' SD ' ' HA ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -65.84 -29.51 69.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.641 -0.709 . . . . 1.07 110.643 179.37 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 46' ' ' LEU . . . -75.24 -29.34 60.2 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.965 0.412 . . . . 1.05 110.914 178.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.555 ' HA ' HD21 ' A' ' 15' ' ' LEU . . . -86.33 -44.91 11.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.291 -0.413 . . . . 1.12 111.91 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -80.82 -36.33 15.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.695 0.284 . . . . 1.11 111.101 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.736 HD21 HG22 ' A' ' 81' ' ' ILE . 12.4 mt 55.64 68.93 2.13 Favored Pre-proline 0 C--O 1.236 0.347 0 CA-C-O 121.309 0.576 . . . . 1.12 110.083 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.618 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 5.8 Cg_exo -80.38 113.19 2.86 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 123.395 2.73 . . . . 0.49 113.326 -179.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.505 ' HG2' ' HA ' ' A' ' 82' ' ' ALA . 40.8 mtp -92.68 -23.32 19.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.096 -0.502 . . . . 1.97 111.075 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -119.13 164.12 16.03 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.246 -0.433 . . . . 3.03 110.891 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.97 -33.12 73.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.475 -0.33 . . . . 2.68 111.672 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -38.16 89.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.238 0.542 . . . . 1.47 110.508 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.618 ' HB1' ' HB3' ' A' ' 54' ' ' PRO . . . -70.82 -26.83 63.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.375 -0.829 . . . . 1.31 109.967 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.417 ' HD1' ' HA ' ' A' ' 60' ' ' PHE . 1.2 m-30 -67.57 -23.81 65.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.741 -0.663 . . . . 0.51 110.653 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.73 -27.03 68.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.449 -0.341 . . . . 1.31 110.955 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.26 -4.15 54.64 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.384 -0.371 . . . . 1.62 111.821 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.416 HD23 ' HB2' ' A' ' 48' ' ' LYS . 1.4 mt -79.02 -11.76 60.01 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.725 0.774 . . . . 1.08 108.988 177.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.42 -99.39 0.79 Allowed Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 110.326 -1.11 . . . . 1.61 110.326 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -153.72 75.58 1.04 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.055 -0.35 . . . . 2.96 110.055 178.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.41 HG13 ' HE2' ' A' ' 74' ' ' PHE . 13.6 m -69.8 138.18 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.629 -0.428 . . . . 1.27 110.331 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.471 ' HB2' ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -70.24 159.92 33.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.226 -0.443 . . . . 2.42 110.095 179.812 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.32 -32.4 71.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.97 -0.559 . . . . 1.72 110.621 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -28.77 67.15 Favored 'General case' 0 C--O 1.23 0.077 0 N-CA-C 109.679 -0.489 . . . . 2.44 109.679 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.551 ' HE2' ' HG2' ' A' ' 42' ' ' PRO . 3.2 m-85 -75.12 -33.37 61.56 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 109.008 -0.738 . . . . 1.91 109.008 177.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 -64.07 -31.75 73.05 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.401 -0.818 . . . . 3.25 110.92 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.711 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -63.22 -65.94 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.109 -0.496 . . . . 5.06 111.589 -179.838 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.651 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -69.26 -4.06 16.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.18 0.514 . . . . 2.23 110.645 179.809 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.41 ' HE2' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -68.31 -38.86 82.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.782 -0.645 . . . . 0.39 110.98 178.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.711 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 6.1 pttt -63.89 -24.81 67.88 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.941 -0.572 . . . . 2.23 111.372 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.651 ' CD2' ' HA ' ' A' ' 73' ' ' ARG . 12.0 m-85 -77.92 -10.63 59.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.016 0.436 . . . . 1.46 110.198 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.709 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.1 OUTLIER -101.46 -17.45 16.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.4 -0.818 . . . . 0.34 110.375 179.456 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -59.15 -29.61 67.55 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.582 -0.736 . . . . 2.06 112.238 -178.097 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.2 77.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.117 0.484 . . . . 1.26 110.712 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.545 ' OG1' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -87.97 -43.12 11.98 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.066 -0.516 . . . . 1.26 111.845 -179.849 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.736 HG22 HD21 ' A' ' 53' ' ' LEU . 56.5 mt -59.3 -39.02 77.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.092 -0.504 . . . . 1.12 110.683 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.505 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -65.66 -44.22 87.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.525 -0.307 . . . . 1.26 111.206 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.46 -44.99 89.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.092 0.472 . . . . 1.4 110.523 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.7 mt -68.51 -33.32 73.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.128 -0.487 . . . . 1.2 111.356 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.4 ' HB3' ' SD ' ' A' ' 55' ' ' MET . 3.3 t -73.24 -25.61 60.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.419 0.628 . . . . 1.68 109.983 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -77.34 -54.73 6.1 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.487 -0.778 . . . . 3.53 110.573 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.494 0 N-CA-C 113.539 0.94 . . . . 3.36 113.539 -178.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.173 0 N-CA-C 108.697 -0.853 . . . . 2.92 108.697 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.407 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -56.41 -26.77 54.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.431 -1.258 . . . . 1.5 110.592 178.704 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.4 -39.29 79.3 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.699 -0.682 . . . . 4.29 110.36 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -35.61 70.98 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.317 -0.401 . . . . 3.42 110.23 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.703 HG22 HD13 ' A' ' 84' ' ' LEU . 1.5 m -60.83 -52.12 66.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.819 -0.628 . . . . 0.97 109.843 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -64.44 -38.77 92.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.032 -0.986 . . . . 1.04 110.662 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -66.5 -44.92 81.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.545 -0.298 . . . . 2.35 111.369 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -32.73 74.2 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.974 0.416 . . . . 4.27 110.189 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.632 HD23 ' SD ' ' A' ' 49' ' ' MET . 5.3 mt -72.03 -36.41 69.65 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.657 -0.497 . . . . 1.11 109.657 178.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -69.71 -37.48 76.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.412 -0.588 . . . . 3.91 109.412 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -70.66 -37.34 73.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.305 -0.861 . . . . 2.36 110.42 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.55 HD13 ' HG1' ' A' ' 80' ' ' THR . 0.0 OUTLIER -75.89 -37.03 59.26 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.212 -0.662 . . . . 1.13 109.212 -179.786 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.659 ' HG ' ' HZ ' ' A' ' 77' ' ' PHE . 0.6 OUTLIER -63.97 -32.21 73.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.523 -0.762 . . . . 1.42 110.349 179.209 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.38 -33.02 49.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.006 -0.543 . . . . 1.25 110.195 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -73.78 -60.2 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.772 -0.649 . . . . 1.69 111.447 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.575 HD12 ' CE2' ' A' ' 40' ' ' PHE . 9.0 mt -61.61 -36.48 80.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.779 0.323 . . . . 1.12 110.808 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.441 ' HA2' HG23 ' A' ' 37' ' ' VAL . . . -64.91 -27.98 72.87 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.777 -0.725 . . . . 0.65 113.214 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.99 -14.06 19.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.213 0.53 . . . . 1.94 110.37 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -90.18 -4.98 56.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.16 0.505 . . . . 4.39 110.85 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.9 ttp -93.48 160.4 14.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.0 -0.545 . . . . 2.38 110.556 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.407 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 60.4 t -127.84 112.86 20.49 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.474 -0.33 . . . . 2.36 110.642 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 71.9 Cg_endo -80.13 160.88 85.68 Favored 'Cis proline' 0 C--O 1.237 0.453 0 C-N-CA 122.945 -1.69 . . . . 2.14 111.722 -0.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -52.54 126.61 21.39 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.329 2.02 . . . . 1.42 111.726 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.441 HG23 ' HA2' ' A' ' 30' ' ' GLY . 2.4 t -69.07 -43.81 81.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.334 -0.848 . . . . 2.02 111.12 -179.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.3 -67.74 3.57 Favored Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 110.677 -0.969 . . . . 1.61 110.677 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -102.87 60.34 0.79 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.155 0.502 . . . . 2.77 109.738 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.611 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 9.4 t80 -38.5 -79.96 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.86 -1.063 . . . . 0.52 111.607 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.621 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -108.35 126.62 29.19 Favored Pre-proline 0 N--CA 1.442 -0.834 0 N-CA-C 108.802 -0.814 . . . . 1.11 108.802 178.51 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.408 ' HG2' ' HE1' ' A' ' 70' ' ' TYR . 37.5 Cg_exo -58.48 144.68 96.58 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.719 2.279 . . . . 0.37 112.539 -179.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.41 -38.84 60.01 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.788 -0.642 . . . . 1.51 111.184 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.523 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -62.3 -43.21 99.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.97 111.111 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.549 ' O ' ' HB3' ' A' ' 49' ' ' MET . 16.2 mm -72.06 -37.18 59.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 1.16 110.978 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.611 HD23 ' HB3' ' A' ' 22' ' ' LEU . 45.8 mt -64.16 -37.17 86.51 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.028 0.442 . . . . 1.05 110.707 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -67.44 -50.63 58.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.025 -0.534 . . . . 1.44 112.027 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -69.69 -39.87 76.67 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.612 -0.435 . . . . 1.43 111.621 -179.117 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.632 ' SD ' HD23 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -65.48 -31.13 72.04 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.662 -0.245 . . . . 1.07 110.86 -179.348 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.98 -30.4 55.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.989 0.423 . . . . 1.05 110.734 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.407 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . . . -79.93 -40.62 27.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.882 -0.599 . . . . 1.12 112.093 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mp -87.49 -35.78 8.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.547 -0.297 . . . . 1.11 111.38 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.5 mt 52.7 69.26 2.46 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 115.81 -0.632 . . . . 1.12 111.328 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.56 110.67 2.68 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.741 2.961 . . . . 0.49 112.371 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.408 ' HE1' ' HB3' ' A' ' 55' ' ' MET . 22.1 mtp -77.2 -18.37 57.79 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.393 0.516 . . . . 1.97 112.393 -179.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -142.08 172.76 12.24 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.752 -0.379 . . . . 3.03 111.294 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.443 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 1.1 t70 -58.97 -39.36 81.49 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.914 -0.585 . . . . 2.68 111.98 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -39.38 90.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.038 0.447 . . . . 1.47 110.47 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.23 -25.89 66.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.808 -0.633 . . . . 1.31 110.337 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.443 ' HD2' ' HA ' ' A' ' 57' ' ' ASP . 3.8 m-85 -64.97 -21.97 66.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.589 -0.732 . . . . 0.51 111.469 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.75 -27.0 48.51 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.608 0.596 . . . . 1.31 112.608 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -0.72 25.96 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.202 0.445 . . . . 1.62 112.202 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.5 HD12 HG11 ' A' ' 66' ' ' VAL . 7.0 mt -87.4 9.39 20.83 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.86 -0.792 . . . . 1.08 108.86 177.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.58 -78.71 1.89 Allowed Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 110.974 -0.85 . . . . 1.61 110.974 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.89 111.92 1.0 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.654 0.264 . . . . 2.96 110.712 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.726 HG22 ' HD3' ' A' ' 71' ' ' ARG . 13.2 m -107.71 114.85 47.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.121 0.486 . . . . 1.27 110.014 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.511 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 12.1 mt-10 -59.16 161.41 5.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.803 -0.635 . . . . 2.42 111.47 -178.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -36.5 70.12 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.049 0.452 . . . . 1.72 109.849 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.453 ' HA ' ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -61.97 -26.01 67.96 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.929 -0.578 . . . . 2.44 110.85 179.074 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.511 ' CD2' ' HB2' ' A' ' 67' ' ' GLU . 57.1 m-85 -87.12 -33.4 19.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.372 -0.376 . . . . 1.91 110.992 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.726 ' HD3' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -63.93 -34.16 77.35 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-N 116.236 -0.438 . . . . 3.25 111.24 -179.697 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.567 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 6.8 mtt180 -59.55 -40.75 88.25 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 120.748 -0.381 . . . . 5.06 110.833 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.558 ' HA ' ' HD2' ' A' ' 76' ' ' TYR . 3.9 mpt_? -80.73 -7.18 59.28 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 120.367 -0.533 . . . . 2.23 110.484 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.483 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.3 OUTLIER -76.52 -34.35 58.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.519 -0.764 . . . . 0.39 110.459 179.494 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 13.4 pttt -63.77 -22.84 67.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 2.23 110.228 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.558 ' HD2' ' HA ' ' A' ' 73' ' ' ARG . 44.1 m-85 -87.54 -7.15 57.91 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.286 -0.415 . . . . 1.46 110.774 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.659 ' HZ ' ' HG ' ' A' ' 26' ' ' SER . 3.0 m-85 -113.89 -16.05 12.27 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.378 0.51 . . . . 0.34 112.378 -178.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.424 ' HA ' HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -51.24 -35.36 36.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.161 0.8 . . . . 2.06 113.161 -177.399 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.6 -35.67 77.66 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.455 0.645 . . . . 1.26 110.486 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.55 ' HG1' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -77.55 -43.71 30.98 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.603 -0.726 . . . . 1.26 111.26 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 77' ' ' PHE . 12.3 mt -60.65 -37.97 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 116.058 -0.519 . . . . 1.12 110.16 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.83 -42.58 85.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.009 -0.542 . . . . 1.26 111.008 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.1 -51.45 63.92 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.736 -0.665 . . . . 1.4 110.842 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.703 HD13 HG22 ' A' ' 18' ' ' THR . 9.6 mt -65.64 -28.33 69.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.724 0.268 . . . . 1.2 111.724 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.7 t -73.18 -31.14 64.03 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.521 -0.548 . . . . 1.68 109.521 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.61 -30.03 62.73 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 108.731 -0.84 . . . . 3.53 108.731 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.47 ' HG3' ' HA ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.389 0 CA-C-N 115.652 -0.704 . . . . 3.36 109.604 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.765 0.317 . . . . 2.92 110.376 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -33.53 69.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.204 0.526 . . . . 1.5 110.08 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.521 ' NH1' ' HB2' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -63.9 -37.92 89.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.298 -0.865 . . . . 4.29 110.451 179.331 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -43.59 96.35 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 120.958 0.409 . . . . 3.42 110.147 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.654 ' HA ' HD22 ' A' ' 84' ' ' LEU . 13.2 m -62.99 -50.15 71.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.545 -0.752 . . . . 0.97 110.791 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -59.56 -35.84 75.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.401 -0.818 . . . . 1.04 111.444 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.521 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 17.6 tp10 -66.48 -50.56 62.9 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.259 -0.428 . . . . 2.35 111.411 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -32.27 72.68 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.818 0.342 . . . . 4.27 110.767 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.608 ' HB3' HD22 ' A' ' 46' ' ' LEU . 5.8 mt -73.14 -38.09 66.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.837 -0.619 . . . . 1.11 110.524 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -69.34 -40.76 77.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.343 -0.389 . . . . 3.91 110.341 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.01 -36.8 80.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.285 0.564 . . . . 2.36 110.059 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.528 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -72.57 -35.01 67.86 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.996 -0.547 . . . . 1.13 109.651 179.551 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.825 ' HG ' ' HZ ' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -66.11 -33.19 75.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.684 -0.689 . . . . 1.42 110.424 179.695 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 mp -81.66 -32.2 31.92 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.603 -0.517 . . . . 1.25 109.603 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.76 -61.27 2.05 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.697 -0.683 . . . . 1.69 110.945 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.464 ' CD1' HD11 ' A' ' 25' ' ' LEU . 9.1 mt -68.49 -32.97 73.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 1.12 109.957 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.539 ' HA2' HG22 ' A' ' 37' ' ' VAL . . . -63.24 -44.52 96.91 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.579 -0.737 . . . . 0.65 113.447 -179.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -82.69 -12.5 57.54 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 117.677 0.738 . . . . 1.94 111.412 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 32' ' ' ARG . 3.0 ttm105 -91.05 -3.9 56.8 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.213 0.53 . . . . 4.39 110.065 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.461 ' HE2' ' HE1' ' A' ' 40' ' ' PHE . 4.4 ttm -92.23 156.11 17.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.912 -0.585 . . . . 2.38 109.881 178.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.7 t -131.72 113.93 15.35 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.616 -0.265 . . . . 2.36 110.471 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.06 150.61 95.96 Favored 'Cis proline' 0 C--O 1.238 0.51 0 C-N-CA 123.401 -1.499 . . . . 2.14 112.398 0.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.61 137.25 80.38 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.674 2.25 . . . . 1.42 112.373 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.539 HG22 ' HA2' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -91.61 118.13 36.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.51 -0.768 . . . . 2.02 110.751 -179.574 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.59 -21.24 79.66 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.404 -0.903 . . . . 1.61 111.205 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -140.54 75.59 1.51 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.558 -0.534 . . . . 2.77 109.558 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.687 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 34.2 t80 -48.59 -56.66 7.79 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 108.842 -0.799 . . . . 0.52 108.842 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.674 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 5.0 tpp -130.23 125.37 21.79 Favored Pre-proline 0 N--CA 1.445 -0.721 0 N-CA-C 107.498 -1.297 . . . . 1.11 107.498 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.435 ' HG2' ' HE1' ' A' ' 70' ' ' TYR . 37.2 Cg_exo -61.13 140.29 88.54 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.0 1.8 . . . . 0.37 112.289 -178.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.419 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 3.1 p-10 -50.35 -38.43 42.13 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.386 -0.37 . . . . 1.51 111.925 -179.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.475 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -60.83 -41.35 95.58 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.167 0.508 . . . . 0.97 110.92 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.444 ' O ' ' HB3' ' A' ' 49' ' ' MET . 6.0 mm -77.17 -37.36 25.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.909 -0.587 . . . . 1.16 110.274 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.867 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 47.9 mt -59.75 -35.15 73.99 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.877 0.37 . . . . 1.05 110.167 179.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 3.4 mttt -73.91 -44.84 53.85 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.071 -0.513 . . . . 1.44 112.294 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 44' ' ' SER . 4.9 ptpt -70.57 -39.19 74.04 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 119.515 -0.874 . . . . 1.43 110.507 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.867 ' SD ' ' HA ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -66.58 -31.93 72.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.307 -0.406 . . . . 1.07 110.437 179.197 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 46' ' ' LEU . . . -76.83 -30.88 56.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 1.05 111.726 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.67 -40.73 33.16 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.075 0.398 . . . . 1.12 112.075 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 48' ' ' LYS . 1.4 mp -89.51 -42.19 14.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.616 -0.266 . . . . 1.11 111.484 -178.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.468 HD22 HG21 ' A' ' 81' ' ' ILE . 14.9 mt 54.94 75.4 0.61 Allowed Pre-proline 0 C--N 1.328 -0.345 0 O-C-N 123.797 0.686 . . . . 1.12 109.85 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.458 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 1.8 Cg_endo -79.01 112.98 3.17 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.752 2.301 . . . . 0.49 112.537 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.518 ' SD ' ' HB3' ' A' ' 85' ' ' SER . 72.0 mtp -91.8 12.28 21.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.988 -0.551 . . . . 1.97 110.679 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -143.12 149.57 38.29 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.806 -0.634 . . . . 3.03 110.413 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -34.67 78.87 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.535 0.522 . . . . 2.68 110.915 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.28 -37.44 77.85 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.786 -0.82 . . . . 1.47 108.786 178.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.93 -30.09 71.06 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 115.124 -0.944 . . . . 1.31 110.7 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.551 ' CD1' HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -57.48 -25.22 59.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.779 -0.646 . . . . 0.51 111.257 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.84 -22.53 64.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 1.31 111.654 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.5 p -66.23 -16.63 64.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.761 0.315 . . . . 1.62 111.752 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.551 HD13 ' CD1' ' A' ' 60' ' ' PHE . 46.3 mt -84.04 -5.8 59.3 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.007 0.432 . . . . 1.08 109.906 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.24 -152.75 17.49 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.305 -1.118 . . . . 1.61 110.305 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.55 69.54 1.24 Allowed 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 117.21 0.505 . . . . 2.96 110.055 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.4 m -55.45 136.11 18.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.019 -0.537 . . . . 1.27 110.945 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.619 ' H ' ' HD2' ' A' ' 70' ' ' TYR . 4.2 mt-10 -77.38 163.96 25.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.592 -0.731 . . . . 2.42 110.19 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -58.17 -32.82 68.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.052 0.453 . . . . 1.72 110.12 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 72' ' ' ARG . 2.9 pttt -61.05 -27.29 68.23 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.793 -0.64 . . . . 2.44 110.666 178.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.619 ' HD2' ' H ' ' A' ' 67' ' ' GLU . 75.9 m-85 -87.36 -33.95 18.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.051 0.453 . . . . 1.91 109.802 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.514 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 5.9 mmm180 -63.5 -33.36 75.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.194 -0.912 . . . . 3.25 111.248 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.679 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 50.9 mtp180 -54.27 -55.24 30.19 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-O 121.079 0.466 . . . . 5.06 110.793 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.573 ' HA ' ' HD2' ' A' ' 76' ' ' TYR . 4.3 mpt_? -75.2 -8.61 57.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.731 -0.668 . . . . 2.23 110.932 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.514 ' HB2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -72.76 -37.7 67.56 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.688 -0.687 . . . . 0.39 110.433 179.02 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.679 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 7.0 pttt -67.74 -22.09 65.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.173 -0.467 . . . . 2.23 110.521 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.573 ' HD2' ' HA ' ' A' ' 73' ' ' ARG . 20.5 m-85 -89.73 -4.56 57.64 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.93 0.395 . . . . 1.46 110.7 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.825 ' HZ ' ' HG ' ' A' ' 26' ' ' SER . 1.3 m-85 -112.59 -13.81 13.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.861 -0.609 . . . . 0.34 112.145 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -54.12 -29.29 44.43 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 114.087 1.143 . . . . 2.06 114.087 -177.135 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.81 -34.85 51.91 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.764 -0.585 . . . . 1.26 111.146 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.81 -48.94 13.81 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.79 -0.641 . . . . 1.26 110.754 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.641 HD11 ' HE1' ' A' ' 49' ' ' MET . 97.9 mt -57.15 -38.68 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.327 -0.397 . . . . 1.12 110.875 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 78' ' ' LYS . . . -70.18 -46.91 63.65 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.01 0.433 . . . . 1.26 110.408 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.956 ' HA ' ' HD3' ' A' ' 86' ' ' LYS . 27.8 t0 -61.21 -42.59 98.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.882 -0.599 . . . . 1.4 111.643 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.654 HD22 ' HA ' ' A' ' 18' ' ' THR . 18.3 mt -59.81 -29.59 68.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.55 -0.296 . . . . 1.2 111.399 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.518 ' HB3' ' SD ' ' A' ' 55' ' ' MET . 3.5 t -78.84 -29.05 44.41 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.84 -0.43 . . . . 1.68 109.84 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.956 ' HD3' ' HA ' ' A' ' 83' ' ' ASP . 1.1 mtpm? -69.82 -42.85 73.09 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.366 -0.605 . . . . 3.53 109.366 178.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.213 0 CA-C-N 115.755 -0.657 . . . . 3.36 109.953 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.234 0 N-CA-C 110.53 -0.174 . . . . 2.92 110.53 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -31.27 71.14 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.236 0.541 . . . . 1.5 109.963 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -65.35 -38.56 90.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.77 -0.65 . . . . 4.29 109.499 178.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 ttt -68.38 -35.5 77.8 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 121.445 0.641 . . . . 3.42 109.512 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.559 ' HA ' HD22 ' A' ' 84' ' ' LEU . 31.1 m -63.67 -47.65 80.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.481 -0.781 . . . . 0.97 109.771 178.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -65.48 -43.98 88.53 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.674 -0.694 . . . . 1.04 110.899 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.75 -39.1 93.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.406 -0.361 . . . . 2.35 111.119 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.515 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -65.23 -31.06 72.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.208 0.528 . . . . 4.27 109.712 178.789 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.921 ' HB3' HD23 ' A' ' 46' ' ' LEU . 4.8 mt -74.87 -36.73 62.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.46 -0.791 . . . . 1.11 110.496 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' O ' HD12 ' A' ' 27' ' ' LEU . 3.5 ttt180 -73.75 -39.92 63.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.075 0.464 . . . . 3.91 109.885 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -67.04 -35.15 79.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.169 -0.469 . . . . 2.36 109.82 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.515 ' HB2' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -75.55 -33.53 60.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.576 -0.738 . . . . 1.13 109.238 178.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.627 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -68.84 -39.05 80.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.877 -0.601 . . . . 1.42 110.627 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 23' ' ' ARG . 3.6 mp -76.67 -30.79 56.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.167 0.508 . . . . 1.25 110.234 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -74.85 -57.42 3.92 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.89 -0.596 . . . . 1.69 110.905 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.463 HD11 ' CE2' ' A' ' 40' ' ' PHE . 62.1 mt -61.14 -38.36 86.13 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.197 -0.456 . . . . 1.12 110.899 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.585 ' O ' ' HA ' ' A' ' 36' ' ' PRO . . . -63.73 -47.4 86.85 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.307 -0.949 . . . . 0.65 111.137 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.505 ' HA ' ' HB3' ' A' ' 36' ' ' PRO . 63.8 t30 -70.54 -11.89 61.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.386 0.612 . . . . 1.94 109.821 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 32' ' ' ARG . 3.1 ttp180 -92.27 -3.41 55.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.257 -0.883 . . . . 4.39 109.9 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.79 165.41 11.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.858 -0.61 . . . . 2.38 110.212 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 43.2 t -131.37 111.73 15.33 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 110.352 -0.24 . . . . 2.36 110.352 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 66.0 Cg_endo -76.96 155.52 97.48 Favored 'Cis proline' 0 C--O 1.237 0.465 0 C-N-CA 123.191 -1.587 . . . . 2.14 111.838 0.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.585 ' HA ' ' O ' ' A' ' 30' ' ' GLY . 14.0 Cg_endo -57.2 129.59 35.02 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.622 2.215 . . . . 1.42 112.673 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.49 104.67 16.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.271 -0.877 . . . . 2.02 109.933 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.59 -26.31 74.62 Favored Glycine 0 C--O 1.227 -0.317 0 CA-C-N 116.046 -0.524 . . . . 1.61 111.928 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -112.14 49.47 0.91 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.415 0.626 . . . . 2.77 109.566 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.627 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 28.6 t80 -42.3 -51.69 4.74 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.065 -0.97 . . . . 0.52 110.675 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.625 ' HE3' ' CE1' ' A' ' 74' ' ' PHE . 7.8 tpp -136.23 121.28 13.17 Favored Pre-proline 0 N--CA 1.444 -0.764 0 N-CA-C 107.823 -1.177 . . . . 1.11 107.823 177.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.45 146.1 75.96 Favored 'Trans proline' 0 N--CA 1.471 0.165 0 C-N-CA 123.159 2.573 . . . . 0.37 112.956 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.465 ' CG ' ' HZ1' ' A' ' 47' ' ' LYS . 5.5 t70 -52.14 -39.87 60.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.948 -0.569 . . . . 1.51 111.194 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.629 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -62.88 -42.37 99.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.305 -0.407 . . . . 0.97 111.153 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.423 ' O ' ' HB3' ' A' ' 49' ' ' MET . 7.1 mm -73.05 -37.07 52.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 1.16 111.014 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.921 HD23 ' HB3' ' A' ' 22' ' ' LEU . 83.3 mt -61.64 -38.03 86.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.515 -0.311 . . . . 1.05 110.355 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.465 ' HZ1' ' CG ' ' A' ' 43' ' ' ASP . 12.4 mttt -68.99 -47.75 64.78 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.889 0.7 . . . . 1.44 112.889 -178.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.629 ' HG2' ' O ' ' A' ' 44' ' ' SER . 8.1 ptpt -68.12 -41.44 81.72 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.149 0.499 . . . . 1.43 110.872 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.627 ' HE3' ' HE1' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -65.89 -30.01 70.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.847 -0.615 . . . . 1.07 110.593 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.87 -29.31 44.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.974 0.416 . . . . 1.05 111.29 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.39 -45.52 17.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.172 -0.467 . . . . 1.12 112.172 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -81.89 -36.5 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.954 0.407 . . . . 1.11 110.776 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.746 HD23 HG23 ' A' ' 81' ' ' ILE . 12.2 mt 54.83 68.6 2.5 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.232 -0.894 . . . . 1.12 111.94 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.459 ' HB3' ' HB2' ' A' ' 59' ' ' ALA . 1.4 Cg_endo -80.75 105.46 1.69 Allowed 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.867 2.378 . . . . 0.49 111.176 179.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.472 ' HB2' ' HE2' ' A' ' 55' ' ' MET . 0.8 OUTLIER -70.09 -14.43 62.66 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.457 0.91 . . . . 1.97 113.457 -178.069 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -155.46 -172.76 4.27 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 122.067 -0.396 . . . . 3.03 110.824 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -68.07 -176.34 0.69 Allowed 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.458 -0.571 . . . . 2.68 109.458 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 m 70.45 -49.28 0.65 Allowed 'General case' 0 CA--C 1.534 0.359 0 O-C-N 123.46 0.475 . . . . 1.47 110.999 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' A' ' 54' ' ' PRO . . . -74.09 -29.61 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.346 -0.613 . . . . 1.31 109.346 178.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.97 -26.08 14.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.1 -0.955 . . . . 0.51 112.076 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.13 -23.11 65.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.325 -0.398 . . . . 1.31 111.962 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.0 p -72.69 -11.86 60.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.837 0.31 . . . . 1.62 111.837 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 49' ' ' MET . 17.0 mt -75.67 -8.67 57.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.955 0.407 . . . . 1.08 110.085 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.5 -110.63 2.63 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.557 -0.83 . . . . 1.61 111.416 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.97 71.01 1.46 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.842 0.353 . . . . 2.96 111.234 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.416 ' O ' HG21 ' A' ' 66' ' ' VAL . 27.2 m -72.68 129.21 35.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 120.134 -0.626 . . . . 1.27 109.8 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.95 160.64 23.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.972 -0.558 . . . . 2.42 110.264 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.07 -34.37 73.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.733 -0.667 . . . . 1.72 109.473 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -63.61 -28.94 70.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.518 -0.765 . . . . 2.44 109.873 178.482 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.457 ' N ' ' HG2' ' A' ' 69' ' ' LYS . 69.0 m-85 -78.61 -36.77 43.71 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.534 -0.543 . . . . 1.91 109.534 178.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.457 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -62.91 -35.15 79.11 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.627 0.58 . . . . 3.25 109.726 178.399 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.541 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -56.92 -67.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.254 -0.885 . . . . 5.06 112.035 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -3.82 33.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.255 0.55 . . . . 2.23 110.638 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.627 ' HE1' ' HE3' ' A' ' 49' ' ' MET . 0.0 OUTLIER -61.93 -35.13 77.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.789 -0.641 . . . . 0.39 110.18 179.014 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -55.57 -23.65 28.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.617 -0.72 . . . . 2.23 112.455 -179.646 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -76.93 -8.26 57.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.546 0.212 . . . . 1.46 111.244 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.618 ' HZ ' ' HG ' ' A' ' 26' ' ' SER . 8.9 m-85 -112.89 -17.21 12.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.275 -0.421 . . . . 0.34 110.882 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -31.25 18.88 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 114.457 1.28 . . . . 2.06 114.457 -177.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.55 -32.92 28.34 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.156 -0.618 . . . . 1.26 110.521 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.65 -45.79 50.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.582 -0.736 . . . . 1.26 111.019 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.746 HG23 HD23 ' A' ' 53' ' ' LEU . 8.1 mt -60.32 -38.31 77.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.194 0.521 . . . . 1.12 110.08 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.33 -46.81 78.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.909 -0.587 . . . . 1.26 110.477 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -42.52 93.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.867 -0.606 . . . . 1.4 110.529 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.559 HD22 ' HA ' ' A' ' 18' ' ' THR . 16.3 mt -63.19 -31.36 72.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 1.2 110.868 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.31 -31.17 65.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.902 -0.59 . . . . 1.68 111.055 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -84.79 -24.52 28.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.887 0.375 . . . . 3.53 110.967 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp . . . . . 0 C--N 1.324 -0.502 0 CA-C-O 121.178 0.513 . . . . 3.36 109.85 179.815 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.182 -0.303 . . . . 2.92 110.182 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -38.11 89.4 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.132 0.491 . . . . 1.5 109.947 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -67.98 -39.9 83.19 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.935 -0.575 . . . . 4.29 110.024 178.893 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.473 ' HE3' ' HB3' ' A' ' 17' ' ' MET . 1.3 tmm? -61.74 -41.28 97.45 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.384 0.611 . . . . 3.42 109.956 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.629 HG22 HD11 ' A' ' 84' ' ' LEU . 7.4 m -63.94 -44.49 92.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.029 -0.987 . . . . 0.97 109.809 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -66.32 -41.58 89.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 1.04 110.574 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.4 -46.47 88.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 2.35 110.918 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -64.36 -34.9 79.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.501 -0.318 . . . . 4.27 110.718 179.562 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.705 ' HB3' HD23 ' A' ' 46' ' ' LEU . 2.8 mt -72.24 -40.28 67.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.498 -0.319 . . . . 1.11 110.71 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -40.86 89.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.814 0.34 . . . . 3.91 110.832 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.73 -34.53 75.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.935 0.398 . . . . 2.36 110.202 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.599 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -73.35 -34.87 65.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.81 -0.632 . . . . 1.13 110.164 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.663 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 51.0 m -64.67 -36.54 84.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.13 0.49 . . . . 1.42 110.487 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.92 -33.12 63.85 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.936 -0.575 . . . . 1.25 110.898 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -78.2 -53.35 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.944 -0.571 . . . . 1.69 112.04 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.594 HD13 ' CE2' ' A' ' 40' ' ' PHE . 93.8 mt -64.12 -32.94 74.69 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.692 0.282 . . . . 1.12 111.11 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.03 -33.61 79.96 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.947 -0.644 . . . . 0.65 113.075 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -99.76 -11.57 20.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 117.074 0.437 . . . . 1.94 110.339 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -93.62 -2.67 53.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.909 0.385 . . . . 4.39 110.913 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.6 159.36 15.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.196 -0.457 . . . . 2.38 110.853 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 3.3 t -122.79 108.26 33.05 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.46 -0.336 . . . . 2.36 110.587 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 74.5 Cg_endo -84.97 168.6 51.61 Favored 'Cis proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.975 -1.26 . . . . 2.14 111.662 -0.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -52.04 138.32 53.1 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.918 2.412 . . . . 1.42 112.481 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.4 t -92.82 -30.05 4.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.842 -0.617 . . . . 2.02 111.929 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.77 -77.19 1.49 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.263 -0.97 . . . . 1.61 110.809 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -102.49 73.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.334 -0.617 . . . . 2.77 109.334 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.663 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 8.1 t80 -43.69 -75.47 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 114.853 -1.067 . . . . 0.52 111.939 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.729 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -117.43 132.41 23.57 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.388 -0.597 . . . . 1.11 109.388 179.524 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 41' ' ' MET . 8.2 Cg_exo -71.48 146.91 51.03 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 122.616 2.211 . . . . 0.37 111.533 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.484 ' CG ' ' HZ3' ' A' ' 47' ' ' LYS . 2.2 t70 -48.46 -40.99 28.26 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.776 0.673 . . . . 1.51 111.819 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -48.97 79.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.468 . . . . 0.97 111.444 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.583 HD11 ' HD2' ' A' ' 48' ' ' LYS . 31.4 mm -69.78 -35.73 66.59 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 CA-C-N 116.282 -0.417 . . . . 1.16 111.105 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.705 HD23 ' HB3' ' A' ' 22' ' ' LEU . 20.7 mt -62.56 -37.46 86.23 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.409 -0.36 . . . . 1.05 110.839 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.484 ' HZ3' ' CG ' ' A' ' 43' ' ' ASP . 25.0 mttt -68.96 -52.02 33.48 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.177 0.436 . . . . 1.44 112.177 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.583 ' HD2' HD11 ' A' ' 45' ' ' ILE . 4.7 ptpt -64.15 -42.26 96.83 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.906 0.384 . . . . 1.43 111.041 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.676 ' SD ' HD23 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -65.47 -30.43 71.21 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.142 -0.481 . . . . 1.07 110.836 -179.707 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.14 -30.51 43.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.78 0.324 . . . . 1.05 111.4 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.24 -40.73 23.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.298 -0.41 . . . . 1.12 111.383 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.634 HG22 ' HG3' ' A' ' 54' ' ' PRO . 1.6 mp -88.53 -34.82 7.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 CA-C-N 116.574 -0.284 . . . . 1.11 111.465 -179.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.773 HD22 HG22 ' A' ' 81' ' ' ILE . 12.4 mt 53.37 67.99 3.28 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.754 -0.657 . . . . 1.12 110.421 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.929 ' HB3' ' HB2' ' A' ' 59' ' ' ALA . 6.1 Cg_exo -79.03 118.48 4.07 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 123.554 2.836 . . . . 0.49 112.389 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.584 ' HE1' ' HB3' ' A' ' 82' ' ' ALA . 3.7 mtp -95.78 -20.05 19.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.602 -0.727 . . . . 1.97 111.247 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.486 ' OD1' ' HB1' ' A' ' 59' ' ' ALA . 25.8 p-10 -123.84 166.68 15.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.197 0.523 . . . . 3.03 111.666 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -56.81 -45.39 82.31 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.208 -0.906 . . . . 2.68 112.695 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.51 -38.53 71.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.681 0.277 . . . . 1.47 111.665 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.929 ' HB2' ' HB3' ' A' ' 54' ' ' PRO . . . -72.38 -28.61 63.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.217 0.532 . . . . 1.31 111.004 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.509 ' CD1' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -67.13 -25.64 66.28 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.679 -0.408 . . . . 0.51 110.747 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.22 -26.93 64.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 1.31 110.785 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.85 0.23 28.0 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.987 -0.285 . . . . 1.62 111.456 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.509 HD11 ' CD1' ' A' ' 60' ' ' PHE . 35.8 mt -83.82 21.1 1.34 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.775 -0.454 . . . . 1.08 109.775 178.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.51 ' C ' ' HG1' ' A' ' 65' ' ' THR . . . 79.86 32.25 37.16 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.551 -1.02 . . . . 1.61 110.551 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.51 ' HG1' ' C ' ' A' ' 64' ' ' GLY . 0.0 OUTLIER 56.67 82.11 0.12 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.408 0.683 . . . . 2.96 111.645 -179.485 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.582 HG12 HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -65.65 138.02 23.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 115.568 -0.742 . . . . 1.27 110.606 179.463 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.5 146.19 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.938 -0.574 . . . . 2.42 110.242 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -56.34 -35.34 67.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.404 -0.362 . . . . 1.72 111.284 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -66.67 -26.55 67.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.286 -0.416 . . . . 2.44 111.069 179.386 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.408 ' N ' ' HG2' ' A' ' 69' ' ' LYS . 11.3 m-85 -82.9 -33.06 27.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 1.91 110.098 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.531 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 37.5 mtm-85 -68.42 -34.16 75.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.716 -0.674 . . . . 3.25 110.958 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -54.22 49.45 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 112.604 0.594 . . . . 5.06 112.604 -178.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -85.89 -0.54 55.66 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.27 0.557 . . . . 2.23 109.749 -179.743 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.531 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -58.12 -35.05 70.92 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.33 -0.85 . . . . 0.39 110.664 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.77 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -54.21 -24.37 18.18 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.08 0.77 . . . . 2.23 113.08 -178.81 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.601 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 91.7 m-85 -73.9 -10.31 59.52 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.828 -0.349 . . . . 1.46 110.726 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.729 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.4 OUTLIER -105.99 -12.99 15.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.308 -0.405 . . . . 0.34 111.06 179.89 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.77 ' HD3' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -57.96 -32.84 68.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.983 0.364 . . . . 2.06 111.983 -178.447 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.56 -32.43 72.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.414 0.626 . . . . 1.26 110.427 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.03 -46.56 13.77 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.524 -0.762 . . . . 1.26 111.427 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.773 HG22 HD22 ' A' ' 53' ' ' LEU . 51.1 mt -58.26 -43.03 85.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.239 -0.437 . . . . 1.12 110.573 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.584 ' HB3' ' HE1' ' A' ' 55' ' ' MET . . . -61.19 -49.92 75.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 1.26 111.333 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.12 -43.97 93.66 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.901 -0.59 . . . . 1.4 111.516 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.629 HD11 HG22 ' A' ' 18' ' ' THR . 34.3 mt -67.51 -30.5 70.19 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.652 -0.249 . . . . 1.2 111.46 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 t -79.18 -30.8 43.65 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.914 -0.402 . . . . 1.68 109.914 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -73.18 -46.07 52.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.86 -0.609 . . . . 3.53 109.926 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm . . . . . 0 N--CA 1.443 -0.797 0 CA-C-N 116.036 -0.529 . . . . 3.36 111.451 -179.894 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.042 -0.355 . . . . 2.92 110.042 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.81 -36.94 84.8 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.875 -0.417 . . . . 1.5 109.875 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.44 -40.37 67.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.235 0.54 . . . . 4.29 109.743 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 45.5 ttp -60.46 -43.59 96.73 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.391 -0.822 . . . . 3.42 110.178 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.776 ' HA ' HD22 ' A' ' 84' ' ' LEU . 8.5 m -66.04 -49.42 67.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.365 -0.834 . . . . 0.97 110.241 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -58.48 -44.43 89.35 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.048 -0.524 . . . . 1.04 110.632 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -48.24 82.65 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.007 -0.542 . . . . 2.35 110.681 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -63.1 -34.13 76.93 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.857 -0.61 . . . . 4.27 110.416 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.762 ' HB3' HD21 ' A' ' 46' ' ' LEU . 5.4 mt -72.75 -36.86 67.81 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.213 -0.449 . . . . 1.11 110.521 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -43.74 68.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.562 -0.29 . . . . 3.91 111.025 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -67.8 -35.18 78.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.399 0.619 . . . . 2.36 110.414 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.54 ' HB2' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -73.22 -43.65 60.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.56 -0.745 . . . . 1.13 109.473 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.59 ' HB2' ' O ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -62.62 -34.13 76.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.108 -0.496 . . . . 1.42 112.164 -179.575 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 mp -78.52 -32.48 48.09 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.981 0.42 . . . . 1.25 110.516 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -71.62 -56.09 6.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.554 -0.748 . . . . 1.69 110.688 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.566 HD11 ' CE2' ' A' ' 40' ' ' PHE . 11.4 mt -66.39 -33.89 76.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.059 -0.519 . . . . 1.12 110.421 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.621 ' HA2' HG22 ' A' ' 37' ' ' VAL . . . -61.51 -46.63 93.93 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.851 -0.613 . . . . 0.65 112.372 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -77.06 -12.99 60.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 1.94 111.051 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -91.75 -6.22 52.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.238 0.542 . . . . 4.39 109.968 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.39 156.68 16.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.46 -0.791 . . . . 2.38 109.712 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.2 t -133.4 119.21 15.19 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.146 -0.316 . . . . 2.36 110.146 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.74 145.32 76.77 Favored 'Cis proline' 0 C--O 1.235 0.339 0 C-N-CA 123.826 -1.322 . . . . 2.14 112.443 0.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -53.33 128.33 28.78 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.647 2.231 . . . . 1.42 112.334 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.621 HG22 ' HA2' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -89.84 113.12 25.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.673 -0.694 . . . . 2.02 110.182 -179.749 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.82 -26.18 71.02 Favored Glycine 0 C--N 1.334 0.44 0 N-CA-C 109.55 -1.42 . . . . 1.61 109.55 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -137.07 81.46 1.87 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 114.389 -0.905 . . . . 2.77 109.43 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CE2' HD11 ' A' ' 29' ' ' LEU . 39.6 t80 -50.02 -36.14 27.55 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.018 -0.992 . . . . 0.52 109.711 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.66 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 8.5 tpp -142.14 125.69 9.69 Favored Pre-proline 0 N--CA 1.445 -0.7 0 N-CA-C 107.383 -1.34 . . . . 1.11 107.383 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -56.35 141.54 89.0 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 121.784 1.656 . . . . 0.37 112.29 -178.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.613 ' HA ' HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -51.4 -35.9 41.11 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.716 0.635 . . . . 1.51 110.499 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.559 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -60.63 -49.62 76.8 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.692 -0.685 . . . . 0.97 110.894 178.74 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.455 ' O ' ' HB3' ' A' ' 49' ' ' MET . 1.2 mm -69.45 -35.81 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 116.428 -0.351 . . . . 1.16 110.35 178.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.762 HD21 ' HB3' ' A' ' 22' ' ' LEU . 56.8 mt -61.04 -37.23 81.88 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.698 0.285 . . . . 1.05 110.379 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -70.49 -51.16 30.97 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.576 0.584 . . . . 1.44 112.576 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -66.47 -38.93 88.41 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.688 -0.405 . . . . 1.43 111.379 -179.371 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.495 ' HE2' ' HE1' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -68.2 -29.92 68.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.15 -0.315 . . . . 1.07 110.15 179.829 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.719 ' HA ' HG21 ' A' ' 18' ' ' THR . . . -79.7 -29.75 40.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.359 -0.382 . . . . 1.05 110.953 178.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.02 -39.6 23.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.396 -0.365 . . . . 1.12 111.698 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -92.05 -39.41 11.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 C-N-CA 120.636 -0.426 . . . . 1.11 111.038 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.542 HD23 HG22 ' A' ' 18' ' ' THR . 6.8 mt 59.38 73.7 0.65 Allowed Pre-proline 0 C--O 1.234 0.263 0 CA-C-N 115.469 -0.787 . . . . 1.12 110.51 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.464 ' HG2' ' CE1' ' A' ' 60' ' ' PHE . 13.7 Cg_endo -88.32 110.16 0.61 Allowed 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.048 2.499 . . . . 0.49 112.069 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.41 -49.46 9.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.05 -0.523 . . . . 1.97 110.732 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.431 ' ND2' ' H ' ' A' ' 58' ' ' SER . 0.1 OUTLIER -81.76 147.85 29.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.72 -0.673 . . . . 3.03 110.618 -179.642 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.607 ' O ' ' HB2' ' A' ' 60' ' ' PHE . 50.0 m-20 -64.44 -28.91 70.0 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.761 0.652 . . . . 2.68 112.761 -178.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.431 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -69.69 -35.22 74.91 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.911 -0.493 . . . . 1.47 110.718 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.94 -24.64 66.1 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.553 0.692 . . . . 1.31 109.834 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.607 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -59.93 -22.29 62.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.173 -0.922 . . . . 0.51 111.735 179.798 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.2 -27.1 68.74 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.334 0.494 . . . . 1.31 112.334 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.75 -8.05 59.66 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.793 0.33 . . . . 1.62 111.558 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 4.0 mt -74.18 -20.67 60.13 Favored 'General case' 0 N--CA 1.461 0.098 0 N-CA-C 108.371 -0.974 . . . . 1.08 108.371 177.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.67 -127.92 6.34 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.112 -1.195 . . . . 1.61 110.112 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.38 74.17 1.03 Allowed 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 121.033 -0.267 . . . . 2.96 111.522 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 m -71.93 131.18 34.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 N-CA-C 109.469 -0.567 . . . . 1.27 109.469 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.496 ' HB2' ' CD1' ' A' ' 70' ' ' TYR . 1.1 mt-10 -68.35 168.02 13.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.121 0.486 . . . . 2.42 111.673 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.6 -36.22 83.52 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.131 -0.692 . . . . 1.72 109.131 178.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -66.28 -27.47 67.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.652 -0.703 . . . . 2.44 110.33 178.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.496 ' CD1' ' HB2' ' A' ' 67' ' ' GLU . 11.8 m-85 -78.54 -41.12 33.05 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.764 -0.653 . . . . 1.91 109.633 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.449 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 0.8 OUTLIER -63.1 -35.84 81.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.859 -0.61 . . . . 3.25 110.658 179.616 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -56.68 -76.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.861 -0.609 . . . . 5.06 111.44 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -65.1 -6.05 8.07 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.51 -0.768 . . . . 2.23 111.524 -179.324 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.495 ' HE1' ' HE2' ' A' ' 49' ' ' MET . 0.1 OUTLIER -56.04 -33.25 64.77 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.239 -0.652 . . . . 0.39 109.239 177.862 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.466 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -58.05 -24.82 59.93 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.177 -0.919 . . . . 2.23 111.924 179.72 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -73.24 -12.59 60.91 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.999 0.428 . . . . 1.46 110.475 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.66 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 2.4 m-85 -106.18 -16.33 14.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.483 -0.78 . . . . 0.34 109.597 178.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.466 ' HB2' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -54.25 -32.97 57.42 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.743 0.646 . . . . 2.06 112.743 -178.424 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.16 -34.68 63.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.296 0.57 . . . . 1.26 110.031 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.67 -45.96 34.02 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.407 -0.815 . . . . 1.26 111.004 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 77' ' ' PHE . 22.7 mt -61.01 -25.38 35.9 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 CA-C-N 116.296 -0.411 . . . . 1.12 110.158 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.68 -33.55 53.22 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.111 0.481 . . . . 1.26 111.382 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.29 -45.19 18.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.195 -0.457 . . . . 1.4 110.883 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.776 HD22 ' HA ' ' A' ' 18' ' ' THR . 9.0 mt -65.72 -29.79 70.37 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.836 0.68 . . . . 1.2 112.836 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 p -72.66 -29.67 63.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.296 0.569 . . . . 1.68 109.68 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.66 -11.43 53.83 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.535 -0.757 . . . . 3.53 110.128 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 115.754 -0.657 . . . . 3.36 110.836 -179.808 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--O 1.231 0.128 0 N-CA-C 111.708 0.262 . . . . 2.92 111.708 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -62.96 -36.39 83.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.689 -0.232 . . . . 1.5 111.353 -179.413 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -64.34 -38.39 90.87 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.571 -0.529 . . . . 4.29 109.571 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.436 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -70.79 -33.05 70.34 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.82 -0.627 . . . . 3.42 110.087 178.479 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.702 ' HA ' HD21 ' A' ' 84' ' ' LEU . 25.6 m -63.61 -50.16 70.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.028 0.442 . . . . 0.97 110.194 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -65.12 -42.68 93.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.829 -0.623 . . . . 1.04 110.967 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.64 -37.05 79.39 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.619 -0.264 . . . . 2.35 111.587 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -66.64 -34.63 78.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.202 0.525 . . . . 4.27 109.626 178.795 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.665 ' HB3' HD22 ' A' ' 46' ' ' LEU . 1.7 mt -69.32 -38.26 78.15 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.469 -0.787 . . . . 1.11 109.631 178.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -65.21 -45.88 82.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.664 -0.698 . . . . 3.91 111.183 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -68.38 -34.97 77.0 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.182 -0.463 . . . . 2.36 109.755 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.857 HD12 ' HG1' ' A' ' 80' ' ' THR . 0.0 OUTLIER -70.2 -35.37 73.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 1.13 110.397 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.6 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 21.6 m -63.48 -36.26 83.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.13 0.49 . . . . 1.42 110.033 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mp -78.45 -33.85 48.14 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.913 -0.585 . . . . 1.25 110.463 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.435 ' O ' ' HB2' ' A' ' 32' ' ' ARG . 1.1 t-20 -71.3 -58.4 3.57 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.751 -0.659 . . . . 1.69 110.963 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.65 HD12 HD11 ' A' ' 25' ' ' LEU . 59.4 mt -63.46 -39.27 94.02 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.186 -0.461 . . . . 1.12 109.975 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.03 -52.13 55.2 Favored Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.119 -0.946 . . . . 0.65 111.812 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -71.63 -14.05 61.94 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.811 0.305 . . . . 1.94 111.208 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -88.33 -4.79 58.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.241 0.543 . . . . 4.39 110.343 179.434 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.52 165.18 12.29 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.694 -0.854 . . . . 2.38 108.694 178.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.2 t -133.98 112.92 12.49 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.983 -0.377 . . . . 2.36 109.983 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -74.24 155.84 99.82 Favored 'Cis proline' 0 C--N 1.346 0.399 0 C-N-CA 122.952 -1.687 . . . . 2.14 112.245 0.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.12 129.59 32.43 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.36 2.04 . . . . 1.42 112.319 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -88.14 120.47 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 115.758 -0.656 . . . . 2.02 110.832 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.59 -26.97 40.49 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 110.16 -1.176 . . . . 1.61 110.16 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -119.85 64.5 0.81 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.793 -0.703 . . . . 2.77 109.797 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.6 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 27.5 t80 -57.36 -49.99 74.39 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.525 -0.761 . . . . 0.52 110.087 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.712 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 37.1 tpp -141.53 127.42 11.07 Favored Pre-proline 0 N--CA 1.449 -0.501 0 N-CA-C 108.558 -0.904 . . . . 1.11 108.558 178.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -56.9 141.8 93.22 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.629 2.22 . . . . 0.37 112.63 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.546 ' HA ' HD13 ' A' ' 46' ' ' LEU . 1.4 t0 -50.18 -39.4 43.73 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.426 -0.806 . . . . 1.51 111.419 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.537 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -65.36 -46.88 78.43 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.425 -0.807 . . . . 0.97 110.797 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.486 ' O ' ' HB3' ' A' ' 49' ' ' MET . 1.1 mm -67.56 -35.45 73.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 1.16 111.098 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.665 HD22 ' HB3' ' A' ' 22' ' ' LEU . 29.0 mt -61.94 -34.44 76.11 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.702 -0.481 . . . . 1.05 109.702 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -73.82 -48.77 28.95 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.036 -0.529 . . . . 1.44 112.133 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 44' ' ' SER . 4.0 ptpt -66.24 -38.0 86.85 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.757 -0.377 . . . . 1.43 110.709 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.486 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -71.09 -29.08 64.84 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.237 -0.438 . . . . 1.07 110.695 179.866 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.542 ' HA ' HG21 ' A' ' 18' ' ' THR . . . -78.07 -28.98 48.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.804 0.335 . . . . 1.05 111.157 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.43 ' HA ' HD13 ' A' ' 15' ' ' LEU . . . -83.53 -35.67 24.62 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.436 0.532 . . . . 1.12 112.436 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.467 ' O ' HG22 ' A' ' 52' ' ' ILE . 1.5 mp -98.69 -34.03 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 122.381 -0.199 . . . . 1.11 111.455 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.576 ' HB3' ' HG ' ' A' ' 85' ' ' SER . 29.7 mt 54.46 71.52 1.32 Allowed Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.817 -0.629 . . . . 1.12 111.12 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.437 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 5.8 Cg_exo -78.24 110.97 2.97 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 123.262 2.641 . . . . 0.49 112.461 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.7 mtp -79.84 -27.36 40.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.336 -0.393 . . . . 1.97 110.849 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -126.92 166.73 16.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.157 -0.474 . . . . 3.03 110.321 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.575 ' HA ' ' HB2' ' A' ' 60' ' ' PHE . 31.9 t70 -64.67 -24.43 67.57 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.96 0.41 . . . . 2.68 111.632 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -36.98 80.63 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.126 0.489 . . . . 1.47 109.811 178.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' A' ' 54' ' ' PRO . . . -82.04 -28.57 32.39 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.519 0.676 . . . . 1.31 109.714 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.575 ' HB2' ' HA ' ' A' ' 57' ' ' ASP . 1.5 m-85 -62.15 -24.99 67.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.255 -0.884 . . . . 0.51 109.964 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.53 -24.92 64.08 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.654 -0.703 . . . . 1.31 111.263 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.7 8.57 40.43 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.054 0.39 . . . . 1.62 112.054 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.478 HD11 ' CD1' ' A' ' 60' ' ' PHE . 2.2 mt -88.65 17.65 5.31 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.031 0.443 . . . . 1.08 110.276 178.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.73 -104.74 3.21 Favored Glycine 0 N--CA 1.438 -1.227 0 N-CA-C 110.816 -0.914 . . . . 1.61 110.816 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.11 76.4 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.813 0.307 . . . . 2.96 111.824 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.2 m -80.61 127.39 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.134 -0.626 . . . . 1.27 109.841 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' HB2' ' HD2' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -73.75 162.23 29.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.812 -0.631 . . . . 2.42 109.818 -179.642 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.626 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 15.8 t70 -58.28 -34.08 70.13 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.885 -0.326 . . . . 1.72 110.27 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -28.52 70.05 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.868 0.365 . . . . 2.44 110.583 179.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.421 ' HD2' ' HB2' ' A' ' 67' ' ' GLU . 39.4 m-85 -78.44 -33.44 48.51 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 108.915 -0.772 . . . . 1.91 108.915 178.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.628 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 6.2 mtm-85 -68.48 -31.6 70.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.721 -1.127 . . . . 3.25 110.264 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 8.6 mmt180 -51.79 -63.86 1.0 Allowed 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.681 -0.691 . . . . 5.06 111.231 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -3.21 50.44 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.901 -0.32 . . . . 2.23 110.919 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.628 ' HB2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -60.22 -35.97 76.63 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.131 0.491 . . . . 0.39 110.144 179.35 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 5.1 ptmt -61.19 -24.97 66.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.265 -0.88 . . . . 2.23 111.328 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.35 -8.62 58.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.836 0.35 . . . . 1.46 110.649 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.712 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.2 OUTLIER -103.73 -13.66 16.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.92 -0.582 . . . . 0.34 110.371 179.166 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -53.7 -34.12 57.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.985 -0.552 . . . . 2.06 112.483 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.12 -32.88 74.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.135 0.493 . . . . 1.26 111.089 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.857 ' HG1' HD12 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -85.29 -43.06 14.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.757 -0.656 . . . . 1.26 111.223 179.852 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.593 ' O ' ' HB2' ' A' ' 85' ' ' SER . 34.1 mt -59.03 -47.34 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.539 -0.301 . . . . 1.12 110.244 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.53 -44.87 89.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.08 -0.509 . . . . 1.26 111.22 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.81 -55.55 31.72 Favored 'General case' 0 CA--C 1.518 -0.258 0 O-C-N 123.569 0.543 . . . . 1.4 110.846 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.702 HD21 ' HA ' ' A' ' 18' ' ' THR . 11.0 mt -63.22 -27.85 69.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.615 -0.266 . . . . 1.2 111.459 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.593 ' HB2' ' O ' ' A' ' 81' ' ' ILE . 0.3 OUTLIER -71.41 -26.71 62.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.744 -0.465 . . . . 1.68 109.744 178.562 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -4.87 59.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.18 0.514 . . . . 3.53 110.037 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.383 -0.826 . . . . 3.36 110.609 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 . . . . . 0 C--O 1.233 0.228 0 CA-C-O 121.232 0.539 . . . . 2.92 110.408 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.689 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -61.64 -28.25 69.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.226 -0.897 . . . . 1.5 111.599 179.766 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -35.08 79.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.882 0.373 . . . . 4.29 110.744 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.8 ttt -68.67 -36.18 78.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.638 -0.71 . . . . 3.42 109.86 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.616 HG22 ' HB3' ' A' ' 84' ' ' LEU . 2.6 m -61.05 -45.93 92.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.77 -0.65 . . . . 0.97 109.519 178.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.427 ' HH ' HH11 ' A' ' 23' ' ' ARG . 64.3 t80 -63.5 -38.76 92.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.546 -0.752 . . . . 1.04 110.457 178.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.33 -48.29 78.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.186 -0.461 . . . . 2.35 111.355 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.542 ' HB3' HD12 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -60.04 -32.16 70.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.104 0.478 . . . . 4.27 110.218 179.577 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.723 ' HB3' HD22 ' A' ' 46' ' ' LEU . 5.1 mt -76.15 -39.81 54.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.913 -0.585 . . . . 1.11 110.719 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.427 HH11 ' HH ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -69.16 -37.98 78.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.367 . . . . 3.91 110.77 -179.245 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.21 -36.23 69.11 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.416 0.627 . . . . 2.36 110.363 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.532 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -74.88 -37.74 62.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.779 -0.646 . . . . 1.13 109.936 -179.657 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.765 ' HG ' ' HZ ' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -64.0 -36.68 84.76 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.051 -0.522 . . . . 1.42 111.058 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mp -75.56 -30.31 59.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.358 0.599 . . . . 1.25 109.639 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -72.27 -65.6 0.76 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.44 -0.8 . . . . 1.69 111.634 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.442 HD13 ' HB3' ' A' ' 76' ' ' TYR . 9.2 mt -62.08 -37.1 83.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.076 -0.511 . . . . 1.12 111.591 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.424 ' HA2' HG23 ' A' ' 37' ' ' VAL . . . -63.14 -37.52 95.05 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.958 -0.639 . . . . 0.65 113.494 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -95.07 -13.88 24.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 117.082 0.441 . . . . 1.94 111.762 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.618 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -88.7 -9.0 53.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.906 0.86 . . . . 4.39 109.379 179.226 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.4 ' O ' ' HA ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -93.21 133.3 36.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.202 -0.908 . . . . 2.38 108.712 177.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.5 t -122.27 121.52 27.78 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.632 -0.507 . . . . 2.36 109.632 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.5 148.89 89.39 Favored 'Cis proline' 0 C--N 1.345 0.37 0 C-N-CA 123.746 -1.356 . . . . 2.14 112.335 0.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.4 ' HA ' ' O ' ' A' ' 33' ' ' MET . 77.2 Cg_exo -54.63 139.42 76.28 Favored 'Trans proline' 0 CA--C 1.516 -0.385 0 C-N-CA 122.731 2.287 . . . . 1.42 112.661 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.424 HG23 ' HA2' ' A' ' 30' ' ' GLY . 1.8 t -71.19 -28.84 33.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.229 -0.896 . . . . 2.02 111.117 -179.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.99 -55.97 4.81 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.77 -0.932 . . . . 1.61 110.77 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.31 82.25 2.0 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.381 -0.6 . . . . 2.77 109.381 178.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.695 ' HZ ' ' HB2' ' A' ' 76' ' ' TYR . 26.5 t80 -52.83 -43.25 65.87 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.574 -0.739 . . . . 0.52 110.668 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.549 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 6.7 tpp -148.65 117.56 4.01 Favored Pre-proline 0 N--CA 1.44 -0.967 0 N-CA-C 108.096 -1.076 . . . . 1.11 108.096 177.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -57.18 144.19 91.2 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.965 2.443 . . . . 0.37 111.683 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.443 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.8 t70 -49.58 -41.11 40.89 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.319 0.648 . . . . 1.51 111.681 -179.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.586 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 15.7 m -62.99 -42.46 99.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.546 -0.297 . . . . 0.97 111.352 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.465 ' O ' ' HB3' ' A' ' 49' ' ' MET . 2.5 mm -71.35 -35.1 56.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 1.16 110.047 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.723 HD22 ' HB3' ' A' ' 22' ' ' LEU . 83.1 mt -61.72 -36.5 81.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.996 -0.547 . . . . 1.05 109.925 178.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -71.82 -45.17 62.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 1.44 112.124 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 44' ' ' SER . 4.4 ptpt -71.22 -39.22 71.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.962 0.411 . . . . 1.43 111.12 -179.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.506 ' HE2' ' HE1' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -68.65 -30.75 69.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.241 -0.436 . . . . 1.07 110.361 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.09 -30.19 49.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 1.05 110.928 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.689 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -83.83 -40.28 18.89 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.189 -0.459 . . . . 1.12 111.908 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.564 HG21 ' HG3' ' A' ' 54' ' ' PRO . 1.9 mp -88.29 -37.15 10.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 C-N-CA 120.352 -0.539 . . . . 1.11 111.101 -178.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.8 mt 50.57 70.83 1.78 Allowed Pre-proline 0 C--O 1.236 0.352 0 CA-C-O 121.218 0.532 . . . . 1.12 110.334 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.564 ' HG3' HG21 ' A' ' 52' ' ' ILE . 5.8 Cg_exo -78.99 124.46 6.12 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 123.01 2.473 . . . . 0.49 113.006 -178.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -45.6 69.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.629 -0.714 . . . . 1.97 111.147 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.55 -172.99 3.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.22 -0.446 . . . . 3.03 110.509 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.609 ' HA ' ' HB2' ' A' ' 60' ' ' PHE . 17.2 t70 -56.31 -31.08 63.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.995 -0.548 . . . . 2.68 112.455 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -51.54 59.85 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.041 0.448 . . . . 1.47 111.261 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.04 -30.2 39.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.209 -0.45 . . . . 1.31 110.954 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.609 ' HB2' ' HA ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -53.53 -24.46 13.49 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.095 -0.502 . . . . 0.51 112.351 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.82 -25.12 64.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.525 -0.307 . . . . 1.31 111.683 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.3 p -79.19 -1.87 38.33 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.951 0.352 . . . . 1.62 111.951 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mt -82.48 -8.21 59.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.899 0.38 . . . . 1.08 110.419 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.23 45.4 3.04 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.383 -0.913 . . . . 1.61 112.38 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 51.09 79.65 0.09 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.285 0.634 . . . . 2.96 112.259 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.8 m -70.91 148.37 10.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.054 -0.521 . . . . 1.27 110.492 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.52 ' HB3' ' HG2' ' A' ' 69' ' ' LYS . 4.9 mt-10 -71.85 152.68 42.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.135 -0.484 . . . . 2.42 110.529 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.579 ' HA ' ' HB2' ' A' ' 71' ' ' ARG . 27.7 t70 -59.34 -34.07 71.91 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.24 -0.436 . . . . 1.72 110.478 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.52 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -62.37 -29.16 70.27 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.918 0.39 . . . . 2.44 110.817 178.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.439 ' HD2' ' HB2' ' A' ' 67' ' ' GLU . 73.9 m-85 -88.86 -33.32 17.39 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 108.942 -0.762 . . . . 1.91 108.942 178.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.642 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -63.53 -36.94 85.45 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.539 -1.21 . . . . 3.25 111.522 179.7 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.885 HH22 ' HH ' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -74.29 -40.51 62.22 Favored 'General case' 0 N--CA 1.421 -1.909 0 N-CA-C 112.087 0.403 . . . . 5.06 112.087 -178.721 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.458 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -84.06 -1.79 55.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.592 0.711 . . . . 2.23 109.815 -179.654 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.642 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -60.81 -35.58 76.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.854 -1.066 . . . . 0.39 111.123 178.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -23.16 17.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.531 -0.759 . . . . 2.23 113.04 -179.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.885 ' HH ' HH22 ' A' ' 72' ' ' ARG . 63.4 m-85 -74.26 -9.44 58.61 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.777 0.322 . . . . 1.46 110.765 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.765 ' HZ ' ' HG ' ' A' ' 26' ' ' SER . 3.5 m-85 -112.01 -11.57 13.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.208 -0.451 . . . . 0.34 110.492 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.38 -36.79 10.14 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.061 1.134 . . . . 2.06 114.061 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.71 -34.35 52.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.162 0.506 . . . . 1.26 110.819 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.495 ' CG2' ' HG2' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -73.14 -46.09 53.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.47 -0.786 . . . . 1.26 111.322 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 77' ' ' PHE . 24.5 mt -59.57 -34.74 55.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.308 -0.405 . . . . 1.12 110.256 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.61 -37.1 60.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 1.26 111.617 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.05 -40.48 75.07 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.943 0.401 . . . . 1.4 110.743 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.616 ' HB3' HG22 ' A' ' 18' ' ' THR . 13.0 mt -76.26 -30.09 57.71 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.899 0.703 . . . . 1.2 112.899 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.7 p -71.66 -27.17 62.88 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.915 -0.491 . . . . 1.68 111.474 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.85 -23.17 24.07 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.123 0.416 . . . . 3.53 112.123 -178.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.669 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 N-CA-C 113.457 0.91 . . . . 3.36 113.457 -177.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 120.728 0.299 . . . . 2.92 110.207 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -35.59 76.75 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.5 -0.556 . . . . 1.5 109.5 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -38.14 78.53 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.017 -0.735 . . . . 4.29 109.017 178.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.425 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 1.7 ttt -62.01 -44.45 96.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.447 -0.797 . . . . 3.42 109.824 178.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.642 ' HA ' HD22 ' A' ' 84' ' ' LEU . 22.6 m -65.94 -44.92 83.64 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.022 -0.535 . . . . 0.97 111.103 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.46 ' CE1' ' HG3' ' A' ' 47' ' ' LYS . 9.0 t80 -65.68 -41.18 92.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.461 -0.791 . . . . 1.04 111.207 -179.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.478 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 4.5 mm-40 -75.65 -31.04 59.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.405 -0.361 . . . . 2.35 111.577 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 17' ' ' MET . 0.1 OUTLIER -68.83 -32.34 71.97 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.247 -0.649 . . . . 4.27 109.247 178.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.817 ' HB3' HD22 ' A' ' 46' ' ' LEU . 2.2 mt -73.64 -34.5 65.0 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.584 -0.735 . . . . 1.11 109.917 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 23' ' ' ARG . 1.3 ttp180 -69.11 -41.78 76.95 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.27 -0.877 . . . . 3.91 110.362 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -68.2 -38.37 81.9 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.474 0.654 . . . . 2.36 110.132 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.577 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -68.03 -34.92 77.39 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.394 -0.821 . . . . 1.13 109.457 178.724 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.61 ' HG ' ' HZ ' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -67.95 -35.39 78.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.618 -0.719 . . . . 1.42 111.414 179.879 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.25 -31.59 69.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.314 -0.403 . . . . 1.25 111.106 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.22 -54.45 4.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 1.69 111.865 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.447 HD11 HD12 ' A' ' 25' ' ' LEU . 28.1 mt -58.27 -37.63 75.36 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.465 0.543 . . . . 1.12 112.465 -179.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.4 -34.12 73.75 Favored Glycine 0 C--O 1.23 -0.143 0 C-N-CA 120.869 -0.682 . . . . 0.65 112.546 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -89.53 -14.69 34.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.432 0.634 . . . . 1.94 110.327 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.509 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -91.32 -4.22 56.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.737 -0.665 . . . . 4.39 110.946 -179.675 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -53.67 23.98 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.122 -0.49 . . . . 2.38 111.109 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 23.8 t 59.76 100.88 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.615 0 O-C-N 123.818 0.699 . . . . 2.36 111.408 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -67.63 145.95 75.61 Favored 'Cis proline' 0 C--N 1.348 0.509 0 C-N-CA 123.229 -1.571 . . . . 2.14 112.446 0.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.9 132.01 47.4 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.07 2.513 . . . . 1.42 112.029 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.8 t -73.98 -26.67 21.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.975 -0.557 . . . . 2.02 111.042 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.63 -53.14 4.69 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.38 -1.088 . . . . 1.61 110.38 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -133.41 87.79 2.42 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.609 -0.886 . . . . 2.77 108.609 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.557 ' HZ ' ' HB2' ' A' ' 76' ' ' TYR . 8.3 t80 -50.38 -78.79 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 O-C-N 124.168 0.917 . . . . 0.52 109.649 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.816 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 7.1 tpp -116.98 127.97 26.35 Favored Pre-proline 0 C--N 1.319 -0.753 0 N-CA-C 108.875 -0.787 . . . . 1.11 108.875 177.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 41' ' ' MET . 24.5 Cg_exo -64.15 150.06 89.1 Favored 'Trans proline' 0 C--O 1.238 0.492 0 C-N-CA 122.204 1.936 . . . . 0.37 111.573 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.421 ' HA ' HD13 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -51.28 -36.27 41.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.044 0.84 . . . . 1.51 111.495 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.448 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -62.32 -53.5 54.12 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.747 -0.66 . . . . 0.97 111.677 -179.891 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.46 ' O ' ' HB3' ' A' ' 49' ' ' MET . 40.4 mm -64.73 -35.58 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 1.16 111.165 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.817 HD22 ' HB3' ' A' ' 22' ' ' LEU . 70.3 mt -61.47 -35.99 79.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.198 -0.455 . . . . 1.05 111.002 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.46 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 18.7 mttt -70.42 -51.65 27.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.316 0.487 . . . . 1.44 112.316 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.478 ' O ' HD12 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -67.59 -38.53 84.16 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.872 0.323 . . . . 1.43 111.872 -178.724 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.546 ' SD ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -69.86 -30.15 67.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.425 -0.352 . . . . 1.07 110.373 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.578 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -72.67 -31.62 65.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.606 -0.27 . . . . 1.05 111.397 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.22 -45.44 15.05 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.168 0.433 . . . . 1.12 112.168 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.478 HD12 ' O ' ' A' ' 48' ' ' LYS . 1.6 mp -82.05 -38.23 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 111.765 0.283 . . . . 1.11 111.765 -178.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 53' ' ' LEU . 4.8 mt 54.75 69.49 2.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 O-C-N 123.803 0.689 . . . . 1.12 110.457 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.441 ' HG2' ' CE1' ' A' ' 60' ' ' PHE . 24.7 Cg_exo -61.49 109.8 0.81 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.545 2.164 . . . . 0.49 111.877 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -15.34 60.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.932 -0.576 . . . . 1.97 110.931 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -143.67 162.98 34.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 3.03 110.553 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.919 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 0.1 OUTLIER -67.99 -14.57 63.07 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.986 0.422 . . . . 2.68 111.066 -179.511 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -44.52 60.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.141 0.496 . . . . 1.47 110.483 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.84 -27.11 68.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.62 0.724 . . . . 1.31 110.639 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.919 ' HD2' ' HA ' ' A' ' 57' ' ' ASP . 2.9 m-85 -53.6 -25.98 19.87 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.968 -1.014 . . . . 0.51 113.0 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.45 -26.14 66.52 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.034 0.383 . . . . 1.31 112.034 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.6 -2.2 57.91 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 122.059 -0.401 . . . . 1.62 111.841 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.492 HD13 ' CD1' ' A' ' 60' ' ' PHE . 4.8 mt -72.25 -25.27 61.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.434 0.635 . . . . 1.08 109.516 178.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.7 -113.22 1.73 Allowed Glycine 0 N--CA 1.439 -1.166 0 N-CA-C 111.128 -0.789 . . . . 1.61 111.128 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.39 72.43 1.5 Allowed 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 120.545 0.212 . . . . 2.96 110.636 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.27 129.07 35.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 N-CA-C 109.901 -0.407 . . . . 1.27 109.901 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.44 150.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.897 -0.592 . . . . 2.42 111.651 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.07 -39.69 79.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.407 0.622 . . . . 1.72 109.568 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.458 ' O ' ' HD2' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -71.88 -26.5 62.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.088 -0.96 . . . . 2.44 110.518 179.173 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.492 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . 14.1 m-30 -73.68 -39.21 64.58 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.057 -0.72 . . . . 1.91 109.057 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.761 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -69.35 -34.26 74.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.925 -0.768 . . . . 3.25 108.925 177.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.465 ' O ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -64.1 -49.55 71.81 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.479 -0.782 . . . . 5.06 111.082 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.492 ' CD ' ' HA ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -83.15 -4.32 58.26 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.592 -0.443 . . . . 2.23 110.912 179.879 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.761 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -53.57 -31.15 45.49 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.201 -0.454 . . . . 0.39 110.151 178.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.465 ' HD3' ' O ' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -57.06 -24.32 53.04 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.9 -0.591 . . . . 2.23 111.931 179.619 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.557 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 75.9 m-85 -81.33 -10.21 59.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.17 0.509 . . . . 1.46 110.306 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.816 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.2 OUTLIER -106.69 -16.76 14.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.193 -0.912 . . . . 0.34 109.889 179.027 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -30.75 64.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.987 -0.552 . . . . 2.06 111.428 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.62 -31.28 66.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.995 0.426 . . . . 1.26 110.686 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.534 ' HG1' HD11 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -83.92 -44.33 14.35 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.716 -0.674 . . . . 1.26 111.497 -179.774 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 77' ' ' PHE . 51.4 mt -59.16 -34.72 54.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.424 -0.353 . . . . 1.12 110.559 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.21 -26.99 47.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.916 0.389 . . . . 1.26 111.431 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -82.59 -42.23 18.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.509 -0.314 . . . . 1.4 111.417 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.642 HD22 ' HA ' ' A' ' 18' ' ' THR . 6.3 mt -64.27 -28.56 69.81 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.876 0.324 . . . . 1.2 111.876 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.25 -30.05 64.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.267 0.556 . . . . 1.68 110.468 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm -80.96 -32.14 34.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.821 -0.627 . . . . 3.53 109.73 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.666 -0.697 . . . . 3.36 110.624 179.759 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.123 -0.695 . . . . 2.92 109.123 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 51' ' ' ALA . 1.6 tt -62.82 -33.2 74.72 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 115.648 -0.706 . . . . 1.5 109.327 178.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -38.04 86.59 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.422 -0.955 . . . . 4.29 108.422 178.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -36.72 80.56 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.697 -0.683 . . . . 3.42 110.022 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.55 HG21 HD12 ' A' ' 84' ' ' LEU . 7.6 m -58.84 -52.82 64.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.457 0.646 . . . . 0.97 109.307 178.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.41 ' CE1' ' HG3' ' A' ' 47' ' ' LYS . 73.1 t80 -63.43 -39.92 95.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.084 -0.962 . . . . 1.04 110.635 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.5 -47.1 85.45 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.775 -0.648 . . . . 2.35 111.014 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -64.08 -32.96 74.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.993 0.425 . . . . 4.27 110.922 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.489 ' HB3' HD22 ' A' ' 46' ' ' LEU . 4.4 mt -66.91 -36.47 82.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.118 -0.492 . . . . 1.11 110.098 179.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.39 -38.63 55.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.119 0.485 . . . . 3.91 110.343 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -64.51 -35.05 79.71 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.229 -0.656 . . . . 2.36 109.229 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.501 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -76.55 -35.63 58.13 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.191 -0.913 . . . . 1.13 109.343 179.035 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.68 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 1.5 t -63.77 -36.82 85.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 1.42 111.158 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 mp -80.85 -33.08 34.78 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.452 -0.499 . . . . 1.25 110.788 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -71.75 -52.01 19.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.883 0.373 . . . . 1.69 110.454 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.493 HD12 ' CE2' ' A' ' 40' ' ' PHE . 46.5 mt -65.33 -40.11 93.27 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.945 -0.57 . . . . 1.12 109.881 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.511 ' O ' ' HA ' ' A' ' 36' ' ' PRO . . . -60.78 -43.54 99.05 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.708 -0.758 . . . . 0.65 112.474 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.5 ' HA ' ' HB3' ' A' ' 36' ' ' PRO . 44.5 t30 -72.02 -16.46 62.06 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.374 0.606 . . . . 1.94 110.861 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -87.68 -4.97 58.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.902 0.858 . . . . 4.39 109.545 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 6.2 mtt -104.8 159.82 15.48 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.065 -0.971 . . . . 2.38 109.817 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.3 t -125.75 118.44 24.29 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 110.071 -0.344 . . . . 2.36 110.071 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.46 152.72 90.86 Favored 'Cis proline' 0 C--O 1.237 0.455 0 C-N-CA 123.159 -1.6 . . . . 2.14 112.471 0.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.511 ' HA ' ' O ' ' A' ' 30' ' ' GLY . 53.3 Cg_exo -51.04 127.35 21.45 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.484 2.123 . . . . 1.42 112.082 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.07 102.85 14.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.388 -0.823 . . . . 2.02 111.732 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.31 -32.26 75.57 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 110.497 -1.041 . . . . 1.61 110.497 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -105.87 66.19 0.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 107.865 -1.161 . . . . 2.77 107.865 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.68 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 27.0 t80 -61.11 -42.56 98.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.762 -1.108 . . . . 0.52 109.729 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.615 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 5.9 tpp -132.57 131.89 22.43 Favored Pre-proline 0 C--N 1.317 -0.818 0 N-CA-C 108.005 -1.109 . . . . 1.11 108.005 177.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.748 ' HG2' ' HE2' ' A' ' 70' ' ' TYR . 72.1 Cg_exo -54.01 140.52 69.59 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.826 2.351 . . . . 0.37 112.923 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -51.66 -43.67 62.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.955 -1.02 . . . . 1.51 111.572 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.411 ' O ' ' HE2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -65.0 -48.12 75.06 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.674 -0.694 . . . . 0.97 111.364 -179.607 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.8 mm -63.35 -36.7 77.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.383 -0.371 . . . . 1.16 111.001 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 22' ' ' LEU . 48.1 mt -63.83 -38.6 91.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.913 0.387 . . . . 1.05 111.101 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.41 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 20.0 mttt -67.28 -46.41 73.71 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.974 0.731 . . . . 1.44 112.974 -178.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HE2' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -69.97 -39.72 75.82 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.625 -0.43 . . . . 1.43 111.384 -179.328 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.549 ' HA ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -66.09 -32.02 73.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.843 -0.617 . . . . 1.07 110.54 -179.658 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.44 -28.35 52.44 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.239 0.542 . . . . 1.05 110.777 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.648 ' HA ' HD12 ' A' ' 15' ' ' LEU . . . -77.92 -36.78 49.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.208 0.447 . . . . 1.12 112.208 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 52' ' ' ILE . 1.1 mp -97.8 -34.57 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 111.774 0.287 . . . . 1.11 111.774 -178.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.503 HD11 ' HA ' ' A' ' 85' ' ' SER . 18.4 mt 59.02 75.75 0.49 Allowed Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.563 -0.744 . . . . 1.12 111.14 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -76.67 106.26 2.22 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.981 2.454 . . . . 0.49 112.462 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.472 ' HG2' ' HA ' ' A' ' 82' ' ' ALA . 1.6 mtp -84.35 -11.77 55.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.237 0.541 . . . . 1.97 110.212 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -126.59 155.24 42.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.756 -0.656 . . . . 3.03 110.524 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 60' ' ' PHE . 0.2 OUTLIER -68.04 -27.64 66.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.726 -0.67 . . . . 2.68 111.43 -179.639 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.3 -30.64 70.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.253 0.549 . . . . 1.47 110.348 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.73 -26.31 60.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.791 -0.641 . . . . 1.31 110.261 179.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.736 ' HE2' ' HE3' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -60.18 -27.32 67.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.466 -0.788 . . . . 0.51 112.122 -179.497 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.6 -26.06 66.07 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.01 0.374 . . . . 1.31 112.01 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -7.31 59.64 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.193 0.442 . . . . 1.62 112.193 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.549 HD23 ' HA ' ' A' ' 49' ' ' MET . 12.8 mt -65.83 -36.17 82.74 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 108.66 -0.867 . . . . 1.08 108.66 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.12 44.15 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.831 0 CA-C-N 114.572 -1.195 . . . . 1.61 110.751 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 48.56 77.78 0.09 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.772 0.829 . . . . 2.96 112.061 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.8 m -72.01 139.95 18.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.815 -0.63 . . . . 1.27 110.653 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.594 ' HB3' ' HD3' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -67.0 157.18 34.08 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.903 -0.406 . . . . 2.42 109.903 179.748 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.98 -35.93 76.06 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.138 -0.225 . . . . 1.72 111.076 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.594 ' HD3' ' HB3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -65.21 -25.99 67.94 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.923 0.392 . . . . 2.44 111.002 179.709 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.748 ' HE2' ' HG2' ' A' ' 42' ' ' PRO . 40.3 m-85 -76.48 -33.01 58.69 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.083 -0.71 . . . . 1.91 109.083 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.712 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 5.1 mtm105 -67.31 -31.14 71.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.137 -0.938 . . . . 3.25 109.769 178.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.634 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 7.5 mmm180 -50.44 -56.37 11.77 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.297 -0.865 . . . . 5.06 112.137 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.551 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -88.54 -3.27 58.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.197 0.523 . . . . 2.23 109.9 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.712 ' HB2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -63.42 -35.28 79.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.812 -0.631 . . . . 0.39 109.724 178.828 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.634 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 18.1 ptpt -61.08 -24.88 66.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.192 -0.913 . . . . 2.23 111.937 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.551 ' CD2' ' HA ' ' A' ' 73' ' ' ARG . 65.5 m-85 -78.21 -9.31 59.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 1.46 110.564 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.615 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 5.2 m-85 -108.24 -16.96 14.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.201 -0.454 . . . . 0.34 110.557 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.736 ' HE3' ' HE2' ' A' ' 60' ' ' PHE . 0.1 OUTLIER -49.54 -34.65 18.0 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.819 1.044 . . . . 2.06 113.819 -177.592 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.93 -36.47 69.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.914 -0.492 . . . . 1.26 111.198 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.39 -43.31 33.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.852 -0.613 . . . . 1.26 111.776 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 77' ' ' PHE . 19.6 mt -59.88 -34.06 54.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 1.12 110.377 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.472 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -75.43 -27.18 58.86 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.067 0.46 . . . . 1.26 110.956 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -82.59 -46.97 12.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 1.4 111.331 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.55 HD12 HG21 ' A' ' 18' ' ' THR . 11.8 mt -62.01 -28.51 69.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.076 -0.511 . . . . 1.2 112.031 -179.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.503 ' HA ' HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -69.67 -27.56 65.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.826 0.346 . . . . 1.68 111.433 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.4 -3.44 56.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.891 0.377 . . . . 3.53 111.03 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 116.1 -0.5 . . . . 3.36 110.675 179.805 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 . . . . . 0 N--CA 1.462 0.144 0 N-CA-C 111.514 0.19 . . . . 2.92 111.514 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -33.36 72.95 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.352 -0.539 . . . . 1.5 110.858 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -35.27 79.21 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.917 -0.772 . . . . 4.29 108.917 178.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -43.23 94.09 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 115.551 -0.75 . . . . 3.42 109.091 177.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.578 ' HA ' HD23 ' A' ' 84' ' ' LEU . 57.4 m -60.3 -44.36 95.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.777 -0.647 . . . . 0.97 110.252 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.414 ' HH ' HH11 ' A' ' 23' ' ' ARG . 46.8 t80 -65.05 -44.47 88.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.985 -0.552 . . . . 1.04 110.918 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -67.99 -35.97 79.23 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.062 -0.255 . . . . 2.35 111.335 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -32.73 74.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.184 0.516 . . . . 4.27 110.072 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.725 ' HB3' HD21 ' A' ' 46' ' ' LEU . 7.9 mt -75.25 -32.39 61.07 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.322 -0.622 . . . . 1.11 109.322 177.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 23' ' ' ARG . 13.8 ttt180 -70.31 -40.9 73.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.907 -0.588 . . . . 3.91 109.835 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.79 -36.38 80.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 2.36 110.351 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.653 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -74.57 -33.61 62.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.472 -0.786 . . . . 1.13 110.199 179.517 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.717 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -63.45 -37.05 85.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.748 -0.66 . . . . 1.42 110.836 179.671 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.14 -32.37 56.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.518 0.675 . . . . 1.25 109.713 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -67.96 -56.87 7.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.319 -0.855 . . . . 1.69 111.303 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.673 HD11 ' CE2' ' A' ' 40' ' ' PHE . 58.6 mt -68.04 -32.58 73.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 1.12 110.745 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.17 -36.33 92.21 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.623 -0.799 . . . . 0.65 112.097 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -15.19 37.43 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.07 0.462 . . . . 1.94 111.021 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -92.67 -2.95 55.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.598 0.713 . . . . 4.39 109.85 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.61 152.91 18.02 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.444 -0.798 . . . . 2.38 109.136 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.425 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 1.6 t -120.8 114.82 32.38 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 116.109 -0.496 . . . . 2.36 110.234 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 60.8 Cg_endo -85.1 162.49 63.32 Favored 'Cis proline' 0 N--CA 1.458 -0.575 0 C-N-CA 123.171 -1.596 . . . . 2.14 111.954 0.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.42 120.76 6.75 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.754 2.303 . . . . 1.42 112.809 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -75.97 -37.12 33.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.576 -1.193 . . . . 2.02 111.492 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.64 -73.0 2.13 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.349 -1.1 . . . . 1.61 110.349 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -95.43 71.56 3.18 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.716 -0.846 . . . . 2.77 108.716 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.717 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 13.2 t80 -48.48 -77.36 0.02 OUTLIER 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.025 -0.989 . . . . 0.52 110.453 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.73 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 35.2 tpp -107.71 125.07 33.07 Favored Pre-proline 0 N--CA 1.441 -0.907 0 N-CA-C 108.995 -0.742 . . . . 1.11 108.995 178.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -53.03 145.97 39.62 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 123.071 2.514 . . . . 0.37 112.41 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.82 -44.39 66.65 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.794 -0.639 . . . . 1.51 111.425 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -61.68 -40.43 94.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.852 -0.613 . . . . 0.97 111.04 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.476 ' O ' ' HB3' ' A' ' 49' ' ' MET . 7.3 mm -71.32 -37.22 64.61 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-N 116.211 -0.449 . . . . 1.16 110.777 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.725 HD21 ' HB3' ' A' ' 22' ' ' LEU . 84.1 mt -61.51 -36.55 80.85 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.959 -0.386 . . . . 1.05 109.959 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 mttp -69.68 -50.14 46.75 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.298 0.481 . . . . 1.44 112.298 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -66.44 -39.48 88.92 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 120.67 -0.412 . . . . 1.43 110.91 -179.201 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.519 ' HE3' ' HE1' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -69.2 -29.93 68.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.249 -0.432 . . . . 1.07 110.444 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -80.31 -31.59 38.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 1.05 111.202 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.77 -40.12 34.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.574 -0.284 . . . . 1.12 111.335 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -88.8 -35.6 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.458 -0.337 . . . . 1.11 110.992 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.664 HD22 HG22 ' A' ' 81' ' ' ILE . 15.1 mt 52.89 70.2 1.96 Allowed Pre-proline 0 C--N 1.327 -0.398 0 O-C-N 123.971 0.794 . . . . 1.12 109.883 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.757 ' HB3' ' HB2' ' A' ' 59' ' ' ALA . 3.0 Cg_exo -73.21 108.54 2.63 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 123.328 2.686 . . . . 0.49 112.475 -178.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -21.38 42.82 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.913 -0.585 . . . . 1.97 110.467 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -116.99 173.67 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.283 -0.417 . . . . 3.03 110.655 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.06 -13.65 52.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.038 0.447 . . . . 2.68 111.149 -179.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -46.54 56.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.061 0.458 . . . . 1.47 110.447 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.757 ' HB2' ' HB3' ' A' ' 54' ' ' PRO . . . -63.19 -23.97 67.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.224 0.535 . . . . 1.31 110.302 178.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.498 ' HD1' ' HA ' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -62.46 -26.57 68.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.638 -0.71 . . . . 0.51 111.859 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.22 -25.4 68.05 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.872 0.323 . . . . 1.31 111.872 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.04 1.42 35.84 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.008 0.374 . . . . 1.62 112.008 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.5 mt -80.58 -31.94 36.65 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 107.795 -1.187 . . . . 1.08 107.795 177.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.26 -64.7 3.72 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 115.167 -0.924 . . . . 1.61 115.1 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.11 33.12 0.49 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 115.222 1.564 . . . . 2.96 115.222 -176.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.415 HG13 HD12 ' A' ' 45' ' ' ILE . 33.7 m -118.47 102.35 13.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.888 0.851 . . . . 1.27 109.342 176.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -77.48 -177.37 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.261 -0.881 . . . . 2.42 110.44 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -54.87 -40.25 69.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.212 -0.449 . . . . 1.72 111.365 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -31.18 67.71 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.274 -0.421 . . . . 2.44 111.336 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -76.24 -37.6 57.45 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.42 -0.585 . . . . 1.91 109.42 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.841 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 16.3 mmm-85 -69.21 -33.84 73.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.54 -0.755 . . . . 3.25 110.501 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.461 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -65.51 -61.94 1.81 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.734 -0.666 . . . . 5.06 112.356 -179.167 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -4.45 6.76 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.21 0.529 . . . . 2.23 111.127 -179.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.841 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -57.77 -29.15 64.6 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.872 -0.603 . . . . 0.39 110.054 178.027 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 2.0 pttt -52.67 -25.0 9.6 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.215 -0.902 . . . . 2.23 112.345 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.531 ' HB3' HD12 ' A' ' 29' ' ' LEU . 74.8 m-85 -82.68 -8.23 59.61 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 120.951 0.405 . . . . 1.46 111.266 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.73 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.3 OUTLIER -110.92 -12.47 14.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.359 -0.382 . . . . 0.34 110.844 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.04 -34.56 56.98 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.912 0.708 . . . . 2.06 112.912 -177.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.94 -32.29 63.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.162 0.506 . . . . 1.26 110.534 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.563 ' OG1' HD12 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -73.04 -51.73 17.01 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.312 -0.858 . . . . 1.26 110.76 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.664 HG22 HD22 ' A' ' 53' ' ' LEU . 13.1 mt -55.93 -42.53 71.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.457 -0.792 . . . . 1.12 110.909 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.68 -38.02 80.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 1.26 111.959 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.401 ' CG ' ' HZ3' ' A' ' 87' ' ' LYS . 32.7 t70 -70.62 -39.8 73.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.447 -0.342 . . . . 1.4 111.056 -179.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.578 HD23 ' HA ' ' A' ' 18' ' ' THR . 27.0 mt -67.68 -31.94 72.25 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.375 0.509 . . . . 1.2 112.375 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -28.97 63.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.171 0.51 . . . . 1.68 109.856 178.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.18 -29.59 48.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.778 -0.646 . . . . 3.53 110.191 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.401 ' HZ3' ' CG ' ' A' ' 83' ' ' ASP . 6.1 mmtm . . . . . 0 C--O 1.236 0.384 0 CA-C-N 116.092 -0.504 . . . . 3.36 111.148 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.189 0 N-CA-C 109.871 -0.418 . . . . 2.92 109.871 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -82.54 -30.95 29.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.751 -0.659 . . . . 1.5 110.351 178.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.494 ' HD2' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -65.47 -38.19 89.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.951 -0.568 . . . . 4.29 110.664 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.2 ttm -61.36 -41.91 97.85 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.287 -0.635 . . . . 3.42 109.287 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.461 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.5 m -63.3 -48.65 77.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.305 -0.861 . . . . 0.97 110.562 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.434 ' CE1' ' HG3' ' A' ' 47' ' ' LYS . 89.2 t80 -62.06 -43.2 99.35 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.871 -0.604 . . . . 1.04 111.092 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -41.91 77.31 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.026 -0.533 . . . . 2.35 111.21 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.19 -40.55 94.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.251 0.548 . . . . 4.27 110.974 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.69 ' HB3' HD23 ' A' ' 46' ' ' LEU . 1.1 mt -68.26 -36.89 80.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.693 -0.685 . . . . 1.11 110.209 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -45.62 91.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.261 0.553 . . . . 3.91 110.519 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.89 -34.61 76.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.612 -0.722 . . . . 2.36 111.025 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.679 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -74.52 -32.05 62.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.194 -0.457 . . . . 1.13 110.277 -179.501 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.703 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 23.5 m -66.68 -36.36 82.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.946 0.403 . . . . 1.42 110.076 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -74.65 -32.02 62.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.851 -0.613 . . . . 1.25 110.627 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.08 -55.92 5.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.991 -0.55 . . . . 1.69 111.78 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 76' ' ' TYR . 67.1 mt -64.94 -41.3 95.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.532 -0.304 . . . . 1.12 111.44 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.74 -43.38 97.86 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.794 -0.717 . . . . 0.65 113.159 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -78.07 -13.41 59.88 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 117.194 0.497 . . . . 1.94 111.54 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.57 -4.91 47.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.958 0.408 . . . . 4.39 110.579 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.82 159.24 21.44 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.585 -0.524 . . . . 2.38 109.585 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 42.7 t -136.3 111.88 10.06 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.578 -0.283 . . . . 2.36 110.596 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -70.75 149.34 90.8 Favored 'Cis proline' 0 C--N 1.347 0.498 0 C-N-CA 123.685 -1.381 . . . . 2.14 112.128 -0.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.65 130.58 39.45 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.649 2.233 . . . . 1.42 112.491 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.39 121.9 36.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.735 -0.666 . . . . 2.02 109.518 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.54 -53.54 43.06 Favored Glycine 0 CA--C 1.504 -0.651 0 N-CA-C 110.716 -0.954 . . . . 1.61 110.716 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.532 HD22 ' HH ' ' A' ' 70' ' ' TYR . 8.8 p-10 -114.84 93.56 4.37 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 122.285 1.04 . . . . 2.77 109.467 178.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.703 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 17.7 t80 -60.58 -57.63 11.91 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.251 -0.886 . . . . 0.52 108.915 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.778 ' HG2' ' HE1' ' A' ' 49' ' ' MET . 0.9 OUTLIER -134.63 126.2 17.94 Favored Pre-proline 0 N--CA 1.441 -0.877 0 CA-C-N 115.335 -0.848 . . . . 1.11 108.849 177.871 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -63.81 148.96 91.73 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.697 2.264 . . . . 0.37 112.345 -178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -52.48 -37.59 57.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.499 -0.773 . . . . 1.51 110.812 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.542 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -64.05 -52.08 61.07 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.777 -0.647 . . . . 0.97 111.095 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.437 ' O ' ' HB3' ' A' ' 49' ' ' MET . 19.5 mm -64.08 -37.68 80.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.615 -0.72 . . . . 1.16 111.343 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.8 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 50.4 mt -62.0 -35.27 78.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.485 -0.325 . . . . 1.05 110.736 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.434 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 51.8 mttt -72.42 -43.05 64.4 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.194 0.442 . . . . 1.44 112.194 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.1 OUTLIER -73.85 -40.98 62.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.98 0.419 . . . . 1.43 110.739 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.8 ' SD ' ' HA ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -65.88 -31.1 71.85 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.188 -0.46 . . . . 1.07 111.074 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 46' ' ' LEU . . . -79.29 -27.95 42.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.001 0.429 . . . . 1.05 110.782 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.453 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . . . -84.19 -39.38 19.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.022 -0.536 . . . . 1.12 112.397 -178.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.411 HD11 ' O ' ' A' ' 48' ' ' LYS . 1.2 mp -88.06 -34.37 7.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.693 0.283 . . . . 1.11 110.897 -179.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.407 HD23 ' HB2' ' A' ' 84' ' ' LEU . 11.1 mt 56.15 65.49 4.21 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 115.704 -0.68 . . . . 1.12 111.589 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.705 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 2.7 Cg_exo -75.3 113.46 3.77 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.044 2.496 . . . . 0.49 111.579 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.437 ' HE1' ' HB2' ' A' ' 82' ' ' ALA . 3.2 mtp -65.76 -25.96 67.5 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.29 0.478 . . . . 1.97 112.29 -178.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -150.54 -175.39 5.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.066 0.46 . . . . 3.03 111.656 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.653 ' HA ' ' CD2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -61.47 -31.75 71.73 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.083 -0.962 . . . . 2.68 112.34 -178.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -49.07 77.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.831 0.348 . . . . 1.47 111.719 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.705 ' HB1' ' HB3' ' A' ' 54' ' ' PRO . . . -64.31 -26.58 68.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 1.31 111.621 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.653 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 2.7 m-30 -50.52 -24.59 3.28 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.397 0.888 . . . . 0.51 113.397 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.48 -23.98 42.89 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.907 0.384 . . . . 1.31 111.507 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.5 p -79.13 -25.69 42.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.932 0.396 . . . . 1.62 111.119 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.461 HD22 ' HA ' ' A' ' 49' ' ' MET . 5.4 mt -66.5 -34.09 77.14 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.761 0.791 . . . . 1.08 109.724 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.98 -155.33 16.74 Favored Glycine 0 N--CA 1.438 -1.204 0 CA-C-N 114.724 -1.125 . . . . 1.61 111.063 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.28 68.85 9.94 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 111.906 0.336 . . . . 2.96 111.906 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.18 134.14 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 109.122 -0.695 . . . . 1.27 109.122 178.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.531 ' HG3' ' HD2' ' A' ' 69' ' ' LYS . 4.2 tp10 -57.73 153.11 14.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.149 0.5 . . . . 2.42 111.765 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -39.06 78.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.688 -0.687 . . . . 1.72 110.895 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.531 ' HD2' ' HG3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -70.56 -25.89 63.29 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.028 0.442 . . . . 2.44 110.696 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.532 ' HH ' HD22 ' A' ' 39' ' ' ASN . 31.4 m-85 -82.42 -35.6 27.46 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.547 -0.538 . . . . 1.91 109.547 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.722 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 6.5 ttp180 -65.62 -34.8 79.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.16 0.505 . . . . 3.25 109.922 177.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -68.58 0.28 Allowed 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 115.544 -0.753 . . . . 5.06 112.431 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -4.97 10.82 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.583 0.23 . . . . 2.23 111.492 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.722 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -55.54 -31.27 61.99 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 108.486 -0.931 . . . . 0.39 108.486 177.505 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.651 ' HZ1' ' HH ' ' A' ' 76' ' ' TYR . 0.9 OUTLIER -52.76 -26.92 15.66 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 114.556 -1.202 . . . . 2.23 112.004 179.865 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.651 ' HH ' ' HZ1' ' A' ' 75' ' ' LYS . 52.2 m-85 -79.58 -8.89 59.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.084 0.468 . . . . 1.46 111.077 -179.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.694 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.9 OUTLIER -112.02 -15.76 13.22 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.109 -0.496 . . . . 0.34 110.51 178.749 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.421 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -59.7 -32.19 70.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.146 -0.479 . . . . 2.06 112.014 -178.429 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.02 -33.7 65.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.037 0.446 . . . . 1.26 111.01 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.16 -46.81 14.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.955 -0.566 . . . . 1.26 111.812 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 90.2 mt -60.98 -33.35 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.981 0.419 . . . . 1.12 110.21 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.437 ' HB2' ' HE1' ' A' ' 55' ' ' MET . . . -70.94 -24.19 62.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.489 0.662 . . . . 1.26 110.356 178.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -90.11 -39.52 12.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.805 -0.634 . . . . 1.4 110.757 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.461 HD22 ' HA ' ' A' ' 18' ' ' THR . 10.1 mt -57.35 -27.67 62.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.999 -0.546 . . . . 1.2 112.078 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -28.78 68.64 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.029 0.443 . . . . 1.68 110.377 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -90.77 -35.0 15.11 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 109.341 -0.614 . . . . 3.53 109.341 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.185 -0.916 . . . . 3.36 111.069 179.588 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.451 -0.399 0 CA-C-O 121.494 0.664 . . . . 6.57 110.352 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.12 61.21 5.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.23 -0.896 . . . . 5.89 109.566 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -56.49 101.46 0.06 Allowed 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.441 -1.254 . . . . 3.69 111.635 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.424 ' ND2' ' HB2' ' A' ' 91' ' ' GLU . 3.3 t-20 -63.8 -29.03 70.27 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.135 -0.939 . . . . 2.92 109.495 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -35.24 77.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.731 -0.668 . . . . 1.5 110.084 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -39.27 79.92 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.14 -0.689 . . . . 4.29 109.14 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -66.49 -34.07 77.11 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.887 -0.782 . . . . 3.42 108.887 178.287 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.606 HG21 ' HA ' ' A' ' 50' ' ' ALA . 36.2 m -66.09 -52.68 46.49 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.388 -0.824 . . . . 0.97 110.309 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -57.5 -39.92 77.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.75 -0.659 . . . . 1.04 110.786 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.77 -43.05 66.4 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.911 -0.586 . . . . 2.35 110.625 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -61.65 -33.21 73.55 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.235 0.54 . . . . 4.27 110.015 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.82 ' HB3' HD21 ' A' ' 46' ' ' LEU . 2.6 mt -71.36 -41.11 70.14 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.388 -0.824 . . . . 1.11 109.673 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -62.89 -41.42 99.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.345 0.593 . . . . 3.91 110.245 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -70.75 -36.74 73.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.666 -0.697 . . . . 2.36 111.003 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.762 HD11 HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -73.75 -38.45 64.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.865 -0.607 . . . . 1.13 110.681 -178.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.695 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 18.8 m -62.44 -39.06 92.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.691 0.282 . . . . 1.42 110.68 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mp -77.85 -29.45 50.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.162 0.506 . . . . 1.25 110.485 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -70.06 -60.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.879 -0.6 . . . . 1.69 110.921 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.762 HD12 HD11 ' A' ' 25' ' ' LEU . 13.5 mt -66.42 -31.76 72.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.023 0.44 . . . . 1.12 110.776 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.618 ' HA2' HG22 ' A' ' 37' ' ' VAL . . . -62.5 -34.97 91.06 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.553 -0.832 . . . . 0.65 113.014 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -87.56 -11.96 47.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.376 0.608 . . . . 1.94 110.094 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -90.39 -3.1 57.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.845 -0.616 . . . . 4.39 110.216 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.7 ttm -97.11 142.74 28.68 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.446 -0.576 . . . . 2.38 109.446 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.1 t -121.92 115.61 30.49 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 120.804 -0.358 . . . . 2.36 110.553 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.11 158.34 93.84 Favored 'Cis proline' 0 C--O 1.237 0.45 0 C-N-CA 123.403 -1.499 . . . . 2.14 112.207 0.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -50.88 140.19 39.17 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.918 2.412 . . . . 1.42 112.731 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.618 HG22 ' HA2' ' A' ' 30' ' ' GLY . 1.2 t -76.99 -41.22 31.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.237 -0.892 . . . . 2.02 111.846 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.79 -62.44 4.55 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 109.832 -1.307 . . . . 1.61 109.832 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -115.41 80.9 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.554 -0.906 . . . . 2.77 108.554 177.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.695 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 27.9 t80 -60.75 -42.87 98.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.632 -0.713 . . . . 0.52 110.256 -178.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.652 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 7.0 tpp -146.51 125.1 6.34 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 115.351 -0.841 . . . . 1.11 109.329 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.85 147.38 92.74 Favored 'Trans proline' 0 C--O 1.239 0.572 0 C-N-CA 122.736 2.291 . . . . 0.37 112.183 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.532 ' HA ' HD12 ' A' ' 46' ' ' LEU . 18.5 t70 -51.25 -39.97 57.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.347 -0.842 . . . . 1.51 111.746 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.562 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -64.1 -47.56 79.55 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.547 -0.297 . . . . 0.97 111.344 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.4 mm -64.73 -38.29 82.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.511 0.196 . . . . 1.16 110.727 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.82 HD21 ' HB3' ' A' ' 22' ' ' LEU . 26.6 mt -60.78 -35.75 77.24 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-O 120.896 0.379 . . . . 1.05 110.123 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -69.46 -55.53 9.99 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.815 0.672 . . . . 1.44 112.815 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -65.38 -41.16 94.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.65 0.262 . . . . 1.43 111.529 -178.498 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.673 ' SD ' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -66.95 -30.32 70.42 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.672 -0.411 . . . . 1.07 110.857 -179.394 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.606 ' HA ' HG21 ' A' ' 18' ' ' THR . . . -73.78 -30.05 62.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.702 0.286 . . . . 1.05 111.601 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.93 -42.73 12.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.13 0.49 . . . . 1.12 112.119 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.523 HG21 ' HG3' ' A' ' 54' ' ' PRO . 1.2 mp -80.79 -34.37 13.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.79 -0.364 . . . . 1.11 110.826 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.464 HD22 ' HB2' ' A' ' 84' ' ' LEU . 28.4 mt 49.81 68.35 3.55 Favored Pre-proline 0 N--CA 1.466 0.332 0 CA-C-N 115.528 -0.76 . . . . 1.12 111.513 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.523 ' HG3' HG21 ' A' ' 52' ' ' ILE . 2.3 Cg_endo -79.37 119.02 4.05 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.926 2.417 . . . . 0.49 111.196 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.449 ' HG2' ' HA ' ' A' ' 82' ' ' ALA . 8.1 mtp -96.32 8.53 43.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.042 -0.526 . . . . 1.97 111.649 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -152.25 157.61 41.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.509 -0.314 . . . . 3.03 111.066 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -35.61 80.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.077 -0.511 . . . . 2.68 110.37 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -23.12 66.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.873 -0.603 . . . . 1.47 110.387 179.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.91 -30.6 16.8 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.03 -0.532 . . . . 1.31 110.494 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.97 -26.53 6.1 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.475 -0.784 . . . . 0.51 112.299 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.55 -21.01 59.67 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.308 0.485 . . . . 1.31 112.308 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.5 p -79.99 -1.99 42.05 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.948 0.404 . . . . 1.62 111.585 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 49' ' ' MET . 13.6 mt -76.8 -3.43 38.29 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.147 0.499 . . . . 1.08 109.94 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.2 -70.99 3.01 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.764 -0.653 . . . . 1.61 112.671 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.81 98.83 3.01 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.319 0.859 . . . . 2.96 113.319 -178.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.2 m -116.47 121.67 68.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.792 -0.818 . . . . 1.27 108.792 176.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.427 ' HB3' ' HG2' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -55.07 151.35 9.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.933 -0.576 . . . . 2.42 110.588 -178.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.77 -33.14 72.51 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.798 -0.445 . . . . 1.72 109.798 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.427 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -70.55 -27.28 64.03 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.669 -0.696 . . . . 2.44 109.642 178.426 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -76.08 -34.58 59.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.658 -0.701 . . . . 1.91 109.213 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.75 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 3.5 ttp180 -64.58 -32.91 74.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.422 -0.808 . . . . 3.25 111.166 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.532 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 11.9 mtp-105 -63.66 -67.78 0.4 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.45 -0.341 . . . . 5.06 111.846 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -5.5 5.42 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.118 0.485 . . . . 2.23 111.888 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.75 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -58.1 -35.11 70.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.119 -0.946 . . . . 0.39 110.108 177.351 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 12.8 ptpt -55.34 -23.81 25.91 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.991 -1.004 . . . . 2.23 112.606 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.618 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 35.7 m-85 -83.58 -5.75 59.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.892 0.377 . . . . 1.46 111.581 -179.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.652 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 1.9 m-85 -107.67 -15.53 14.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.271 -0.422 . . . . 0.34 111.8 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -51.35 -36.53 43.4 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.38 0.881 . . . . 2.06 113.38 -177.588 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.76 -32.36 73.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.757 0.313 . . . . 1.26 111.662 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.868 HG23 HD12 ' A' ' 84' ' ' LEU . 2.5 m -86.75 -43.32 12.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.57 -0.286 . . . . 1.26 111.078 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 77' ' ' PHE . 36.3 mt -59.81 -42.61 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 120.816 0.341 . . . . 1.12 110.732 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.449 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -62.13 -38.88 90.64 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.24 -0.436 . . . . 1.26 111.498 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.14 -46.98 66.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.842 -0.617 . . . . 1.4 111.409 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.868 HD12 HG23 ' A' ' 80' ' ' THR . 4.9 mt -69.89 -30.43 67.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.36 . . . . 1.2 111.532 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.2 t -71.5 -29.69 65.1 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.433 0.635 . . . . 1.68 109.571 178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.53 -39.07 32.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.439 -0.8 . . . . 3.53 109.929 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -75.73 -13.85 60.32 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.861 -0.609 . . . . 3.36 111.509 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -59.16 -31.74 69.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.981 0.42 . . . . 3.45 110.963 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.41 10.72 38.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.12 -0.491 . . . . 3.42 111.359 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.91 -43.56 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.305 -0.407 . . . . 3.96 111.094 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.424 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . 18.9 mt-10 . . . . . 0 C--O 1.244 0.783 0 CA-C-O 118.577 -0.725 . . . . 6.44 110.056 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--O 1.233 0.185 0 N-CA-C 109.666 -0.494 . . . . 6.57 109.666 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 40.28 55.23 2.78 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 123.99 0.807 . . . . 5.89 112.318 178.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -82.31 54.43 2.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.086 -0.506 . . . . 3.69 111.674 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.82 -12.1 59.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.274 0.559 . . . . 2.92 109.531 179.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -55.99 -29.69 60.69 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.253 -0.885 . . . . 1.5 111.008 178.52 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.2 ttp85 -63.16 -38.81 92.64 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.591 -0.522 . . . . 4.29 109.591 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.556 ' HE1' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -64.22 -35.47 80.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.869 -0.605 . . . . 3.42 109.832 178.476 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -67.25 -49.16 65.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.468 -0.787 . . . . 0.97 110.224 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.596 ' HH ' ' HE ' ' A' ' 23' ' ' ARG . 78.9 t80 -67.66 -39.81 84.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.816 -0.629 . . . . 1.04 111.255 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -67.05 -36.87 83.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.47 -0.332 . . . . 2.35 110.69 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.556 ' HD3' ' HE1' ' A' ' 17' ' ' MET . 0.0 OUTLIER -68.2 -31.3 70.72 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.385 -0.598 . . . . 4.27 109.385 179.162 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.717 ' HB3' HD21 ' A' ' 46' ' ' LEU . 6.9 mt -75.59 -37.47 59.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.225 -0.898 . . . . 1.11 110.086 178.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.596 ' HE ' ' HH ' ' A' ' 19' ' ' TYR . 4.3 tpt85 -69.51 -35.41 75.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.205 0.526 . . . . 3.91 110.367 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -37.89 58.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.796 -0.638 . . . . 2.36 110.062 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.667 HD11 ' CE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -72.25 -35.4 68.79 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.552 -0.536 . . . . 1.13 109.552 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.549 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 43.4 t -66.52 -40.83 89.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 1.42 111.215 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 mp -76.54 -30.87 57.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.783 0.325 . . . . 1.25 111.166 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -76.32 -54.44 6.77 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.138 -0.483 . . . . 1.69 110.545 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.665 HD13 HD12 ' A' ' 25' ' ' LEU . 24.2 mt -61.35 -40.29 93.71 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 120.866 0.365 . . . . 1.12 110.341 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.3 -29.15 70.6 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.88 -0.676 . . . . 0.65 112.905 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -95.82 -13.09 24.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 117.258 0.529 . . . . 1.94 110.702 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -94.2 -5.88 46.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.519 0.676 . . . . 4.39 110.344 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 17.1 mtp -93.96 154.68 17.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.395 -0.821 . . . . 2.38 109.999 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.426 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 47.8 t -121.57 115.86 30.85 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.643 -0.502 . . . . 2.36 109.643 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 6.5 Cg_endo -85.93 156.61 56.86 Favored 'Cis proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.446 -1.481 . . . . 2.14 112.084 0.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_exo -46.74 117.83 2.32 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.901 2.401 . . . . 1.42 112.28 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 t -71.39 -34.48 53.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.012 -0.995 . . . . 2.02 111.81 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.17 -68.15 3.61 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.676 -0.969 . . . . 1.61 110.676 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -111.55 81.65 1.48 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.479 -0.934 . . . . 2.77 108.479 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.637 ' HZ ' ' HB2' ' A' ' 76' ' ' TYR . 37.3 t80 -56.89 -48.81 77.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.247 -0.888 . . . . 0.52 110.799 -178.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.731 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 2.2 tpp -136.38 122.05 13.45 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.35 -0.611 . . . . 1.11 109.35 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -56.73 144.16 87.65 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.775 2.316 . . . . 0.37 112.191 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -39.32 63.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.824 -0.626 . . . . 1.51 111.89 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.618 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -63.41 -40.65 97.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.385 -0.37 . . . . 0.97 111.263 179.866 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.2 mm -71.71 -36.63 59.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.26 -0.427 . . . . 1.16 110.777 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.717 HD21 ' HB3' ' A' ' 22' ' ' LEU . 76.1 mt -63.36 -40.46 97.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.302 -0.408 . . . . 1.05 110.807 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -64.01 -48.24 77.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 1.44 111.629 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 44' ' ' SER . 12.9 ptpt -71.74 -40.67 69.23 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.797 -0.361 . . . . 1.43 111.837 -179.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.586 ' SD ' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -67.26 -29.01 68.51 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.996 -0.282 . . . . 1.07 111.017 -179.421 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.508 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -83.07 -32.89 26.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.835 0.35 . . . . 1.05 111.155 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.441 ' HA ' HD12 ' A' ' 15' ' ' LEU . . . -76.92 -37.18 55.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.184 -0.462 . . . . 1.12 111.485 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.2 mp -94.95 -35.21 5.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.98 -0.554 . . . . 1.11 111.209 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' A' ' 53' ' ' LEU . 18.6 mt 50.61 72.38 1.25 Allowed Pre-proline 0 N--CA 1.465 0.319 0 O-C-N 123.583 0.552 . . . . 1.12 110.813 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.459 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 11.8 Cg_endo -91.81 106.74 0.25 Allowed 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.575 2.85 . . . . 0.49 113.373 -178.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.514 ' HG2' HG22 ' A' ' 81' ' ' ILE . 34.9 mmm -99.86 30.7 3.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.635 0.255 . . . . 1.97 111.069 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.6 146.2 22.06 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.217 -0.66 . . . . 3.03 109.217 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -54.16 -44.65 71.65 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 113.428 0.899 . . . . 2.68 113.428 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.54 -33.94 75.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.366 0.603 . . . . 1.47 111.32 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.97 -30.34 50.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.002 -0.544 . . . . 1.31 110.906 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.473 ' HD1' ' HA ' ' A' ' 60' ' ' PHE . 0.1 OUTLIER -59.36 -25.14 63.98 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.821 0.343 . . . . 0.51 111.91 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.04 -24.88 64.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.54 . . . . 1.31 112.001 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.6 p -70.02 -13.66 62.33 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.085 0.469 . . . . 1.62 111.491 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.478 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 49.2 mt -80.53 11.2 3.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.154 -0.476 . . . . 1.08 110.537 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.8 38.08 8.24 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 109.795 -1.322 . . . . 1.61 109.795 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.0 p 49.35 78.49 0.09 Allowed 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.743 0.817 . . . . 2.96 111.306 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.2 m -59.89 133.05 25.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.792 -0.64 . . . . 1.27 111.005 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -68.17 162.43 24.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.274 -0.875 . . . . 2.42 110.342 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.415 ' O ' ' HD2' ' A' ' 72' ' ' ARG . 5.0 t70 -59.69 -36.12 75.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.711 -0.222 . . . . 1.72 111.41 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -26.63 64.74 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.856 0.36 . . . . 2.44 110.654 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.406 ' O ' ' HD3' ' A' ' 73' ' ' ARG . 96.6 m-85 -84.49 -31.42 24.51 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.506 -0.553 . . . . 1.91 109.506 178.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.507 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -67.95 -40.09 83.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.252 -0.885 . . . . 3.25 111.576 179.588 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.415 ' HD2' ' O ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -56.3 -44.65 80.09 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.606 0.595 . . . . 5.06 112.606 -178.275 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.406 ' HD3' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -93.33 -4.32 51.85 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.464 -0.494 . . . . 2.23 109.795 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.513 ' HE1' ' HE1' ' A' ' 49' ' ' MET . 0.1 OUTLIER -58.79 -35.28 72.56 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.807 -0.633 . . . . 0.39 110.979 179.208 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.714 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -59.04 -23.16 61.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.631 -0.713 . . . . 2.23 111.992 -179.574 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.637 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 74.0 m-85 -78.02 -6.93 56.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.885 0.374 . . . . 1.46 110.894 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.731 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.8 OUTLIER -113.43 -17.6 12.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.09 0.471 . . . . 0.34 110.159 179.141 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.714 ' HD3' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -54.65 -29.3 52.05 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.007 0.743 . . . . 2.06 113.007 -178.703 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.46 -34.36 70.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.737 0.303 . . . . 1.26 110.591 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.735 HG23 HD11 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -86.67 -39.74 15.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.715 -0.221 . . . . 1.26 111.019 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 77' ' ' PHE . 63.4 mt -58.45 -43.09 85.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.257 -0.429 . . . . 1.12 110.082 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 78' ' ' LYS . . . -60.38 -39.65 88.02 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.779 -0.646 . . . . 1.26 111.849 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -76.63 -46.48 25.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.245 -0.434 . . . . 1.4 111.62 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.735 HD11 HG23 ' A' ' 80' ' ' THR . 21.5 mt -61.92 -30.71 71.08 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 112.271 0.471 . . . . 1.2 112.271 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.5 p -74.08 -27.49 60.93 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 120.844 0.354 . . . . 1.68 110.63 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -97.96 7.33 46.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 3.53 110.84 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.09 1.87 3.57 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.421 -0.354 . . . . 3.36 111.44 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.464 ' HE ' ' HB3' ' A' ' 88' ' ' ARG . 1.3 ttp180 -61.81 122.03 14.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 3.45 110.96 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m 68.74 -56.9 0.52 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.21 1.004 . . . . 3.42 111.776 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.42 -56.41 0.31 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.801 -0.444 . . . . 3.96 109.801 179.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 . . . . . 0 C--O 1.242 0.7 0 CA-C-N 115.507 -0.77 . . . . 6.44 109.401 179.579 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.21 0.529 . . . . 6.57 110.559 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.8 mt -91.2 42.92 1.12 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.208 0.528 . . . . 5.89 111.431 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.545 HD22 ' HD3' ' A' ' 16' ' ' ARG . 10.8 t30 -86.51 37.3 0.73 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.462 -0.79 . . . . 3.69 109.849 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -67.64 -44.49 77.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.248 -0.887 . . . . 2.92 112.241 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -40.25 93.62 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 121.125 -0.23 . . . . 1.5 111.21 -178.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.545 ' HD3' HD22 ' A' ' 13' ' ' ASN . 0.0 OUTLIER -67.0 -39.16 87.03 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.575 -0.528 . . . . 4.29 109.575 178.85 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -33.4 75.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.904 -0.589 . . . . 3.42 110.108 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.454 HG21 HD23 ' A' ' 53' ' ' LEU . 21.9 m -63.11 -53.29 55.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.514 -0.766 . . . . 0.97 110.074 178.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.413 ' CE1' ' HG3' ' A' ' 47' ' ' LYS . 44.6 t80 -63.14 -41.55 99.32 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.975 0.417 . . . . 1.04 110.543 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -64.41 -39.4 93.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.259 -0.428 . . . . 2.35 111.403 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -69.31 -34.45 74.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.365 . . . . 4.27 110.691 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.679 ' HB3' HD23 ' A' ' 46' ' ' LEU . 6.9 mt -72.02 -34.44 68.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.795 -0.639 . . . . 1.11 109.568 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -72.62 -36.43 68.06 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.802 -0.635 . . . . 3.91 109.985 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.05 -37.71 78.7 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.026 -0.731 . . . . 2.36 109.026 178.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.642 HD22 HD13 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -69.1 -37.71 78.57 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.385 -0.825 . . . . 1.13 109.151 178.832 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.569 ' HG ' ' HZ ' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -64.76 -36.29 83.84 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.495 -0.775 . . . . 1.42 111.377 179.632 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 mp -74.16 -30.49 62.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.185 0.517 . . . . 1.25 110.215 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -77.7 -59.61 2.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.894 -0.594 . . . . 1.69 111.345 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.642 HD13 HD22 ' A' ' 25' ' ' LEU . 53.1 mt -62.54 -33.53 75.1 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.01 0.433 . . . . 1.12 111.066 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.468 ' HA2' HG21 ' A' ' 37' ' ' VAL . . . -62.99 -44.38 97.48 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.885 -0.674 . . . . 0.65 113.857 -178.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -83.33 -13.37 55.19 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.224 0.535 . . . . 1.94 110.99 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -90.28 -6.15 55.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.302 0.572 . . . . 4.39 110.743 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.3 ttm -96.76 152.49 18.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.47 -0.786 . . . . 2.38 109.208 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 t -132.1 120.68 17.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.351 -0.24 . . . . 2.36 110.351 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -69.3 147.2 83.2 Favored 'Cis proline' 0 C--O 1.234 0.312 0 C-N-CA 123.8 -1.333 . . . . 2.14 111.451 -0.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.82 130.12 38.67 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.33 2.02 . . . . 1.42 112.787 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.468 HG21 ' HA2' ' A' ' 30' ' ' GLY . 0.9 OUTLIER -75.74 -21.14 15.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.413 -0.812 . . . . 2.02 110.446 -179.605 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.1 -74.26 1.66 Allowed Glycine 0 CA--C 1.508 -0.372 0 N-CA-C 109.452 -1.459 . . . . 1.61 109.452 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -111.87 75.2 0.9 Allowed 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.048 -1.093 . . . . 2.77 108.048 176.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.571 ' CE2' HD11 ' A' ' 29' ' ' LEU . 13.4 t80 -22.38 -72.49 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 O-C-N 124.682 1.239 . . . . 0.52 111.459 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.88 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 8.3 tpp -108.89 133.65 20.62 Favored Pre-proline 0 N--CA 1.443 -0.8 0 N-CA-C 109.183 -0.673 . . . . 1.11 109.183 177.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.72 146.45 92.19 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.193 1.929 . . . . 0.37 112.175 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.33 -39.28 56.63 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.939 -0.573 . . . . 1.51 111.699 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.509 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -63.51 -47.0 83.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.799 -0.637 . . . . 0.97 111.356 -179.679 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.533 ' O ' ' HB3' ' A' ' 49' ' ' MET . 1.4 mm -67.24 -38.75 81.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.344 -0.389 . . . . 1.16 111.143 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.831 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 60.8 mt -60.87 -37.49 82.31 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.784 0.326 . . . . 1.05 111.087 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.413 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 12.7 mtmt -69.26 -46.33 67.52 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.464 0.542 . . . . 1.44 112.464 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 44' ' ' SER . 7.9 ptpt -69.5 -40.17 77.16 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.094 0.474 . . . . 1.43 110.634 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.831 ' SD ' ' HA ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -65.69 -31.69 72.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.786 -0.643 . . . . 1.07 110.704 179.857 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -80.5 -33.24 36.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.641 0.258 . . . . 1.05 111.362 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.0 -43.59 29.08 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.067 -0.253 . . . . 1.12 111.493 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 mp -84.57 -34.58 9.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.441 -0.345 . . . . 1.11 110.498 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.776 HD12 ' HD3' ' A' ' 88' ' ' ARG . 15.5 mt 52.89 72.09 1.26 Allowed Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.75 -0.659 . . . . 1.12 111.429 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.81 106.76 2.19 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 123.081 2.521 . . . . 0.49 112.31 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.489 ' HE1' ' HB1' ' A' ' 82' ' ' ALA . 1.6 mtp -82.76 -29.14 29.9 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.664 -0.698 . . . . 1.97 110.851 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -120.76 169.4 10.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.063 -0.517 . . . . 3.03 110.974 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.22 -28.77 68.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.048 -0.524 . . . . 2.68 110.679 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -35.57 77.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.451 0.643 . . . . 1.47 109.44 178.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.78 -26.46 62.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.518 -0.764 . . . . 1.31 110.656 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.657 ' HE2' ' HE3' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -64.17 -25.01 67.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.677 -0.692 . . . . 0.51 111.278 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.86 -25.86 68.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.434 -0.348 . . . . 1.31 111.516 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.99 0.47 31.48 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.751 -0.38 . . . . 1.62 111.698 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.511 HD11 ' CD1' ' A' ' 60' ' ' PHE . 5.7 mt -83.3 -18.86 37.56 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.475 0.655 . . . . 1.08 109.299 178.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.08 -102.42 0.93 Allowed Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 115.283 -0.872 . . . . 1.61 111.035 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.5 106.53 4.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.651 0.225 . . . . 2.96 111.3 179.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.462 HG11 ' HE2' ' A' ' 74' ' ' PHE . 16.7 m -109.95 122.46 64.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.729 -0.471 . . . . 1.27 109.729 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -68.28 168.18 12.92 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.168 -0.469 . . . . 2.42 110.838 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -54.5 -38.43 66.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.751 -0.659 . . . . 1.72 111.104 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.69 -27.7 69.39 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.895 0.379 . . . . 2.44 111.013 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.464 ' O ' ' HD2' ' A' ' 73' ' ' ARG . 73.9 m-85 -81.36 -37.6 27.98 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.231 -0.44 . . . . 1.91 110.216 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.447 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 14.2 mtt85 -69.5 -34.94 75.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.266 0.555 . . . . 3.25 109.842 178.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -34.25 77.55 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.466 -0.788 . . . . 5.06 111.718 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.464 ' HD2' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -99.07 -4.13 33.1 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.681 0.753 . . . . 2.23 110.109 179.413 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.462 ' HE2' HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -68.28 -34.9 77.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.366 -0.833 . . . . 0.39 110.648 179.094 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.497 ' HA ' ' HG3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -59.5 -26.06 64.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.951 -0.568 . . . . 2.23 111.313 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.525 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 28.5 m-85 -76.81 -7.79 56.11 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.304 0.573 . . . . 1.46 110.241 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.88 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.3 OUTLIER -111.79 -18.48 12.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.306 -0.861 . . . . 0.34 111.059 179.32 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.657 ' HE3' ' HE2' ' A' ' 60' ' ' PHE . 2.7 mttp -57.59 -32.2 66.94 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.323 0.86 . . . . 2.06 113.323 -177.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.3 -31.11 65.41 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.783 -0.367 . . . . 1.26 111.665 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 m -90.48 -40.0 12.27 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.906 -0.588 . . . . 1.26 111.362 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 77' ' ' PHE . 50.0 mt -59.41 -43.62 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.777 0.323 . . . . 1.12 110.365 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.489 ' HB1' ' HE1' ' A' ' 55' ' ' MET . . . -65.98 -34.2 77.56 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.223 -0.444 . . . . 1.26 111.458 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -70.53 -40.63 73.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.348 -0.387 . . . . 1.4 110.486 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.2 mt -70.27 -31.43 68.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.403 0.52 . . . . 1.2 112.403 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.566 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -73.16 -35.09 66.38 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.796 0.332 . . . . 1.68 111.34 -179.104 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -71.55 -38.32 71.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.338 -0.392 . . . . 3.53 110.063 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -27.23 61.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.08 -0.509 . . . . 3.36 110.699 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.776 ' HD3' HD12 ' A' ' 53' ' ' LEU . 5.1 ttp180 -80.75 -6.8 58.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.24 -0.436 . . . . 3.45 111.245 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.6 m -87.81 -13.22 42.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.273 0.559 . . . . 3.42 109.685 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.505 ' HB2' ' H ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -118.38 -132.27 0.31 Allowed 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.647 -0.706 . . . . 3.96 110.499 179.164 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.505 ' H ' ' HB2' ' A' ' 90' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 117.828 -1.082 . . . . 6.44 108.88 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.337 0.589 . . . . 6.57 111.171 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.4 mt -72.93 -8.54 56.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.584 -0.735 . . . . 5.89 111.252 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.52 13.42 12.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.855 -0.611 . . . . 3.69 110.03 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -60.67 -18.7 55.49 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.707 -0.679 . . . . 2.92 110.967 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.555 HD21 ' HA ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -57.98 -31.18 66.67 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.182 0.515 . . . . 1.5 110.331 179.806 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.3 -38.74 88.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.617 -0.719 . . . . 4.29 110.177 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.42 -36.0 80.39 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.064 -0.516 . . . . 3.42 109.826 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 m -60.46 -51.95 67.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.732 -0.667 . . . . 0.97 110.94 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -62.24 -42.03 98.96 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.961 -0.563 . . . . 1.04 110.464 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -62.46 -46.81 86.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 2.35 110.289 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -61.19 -35.19 76.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.7 -0.682 . . . . 4.27 111.258 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.812 ' HB3' HD22 ' A' ' 46' ' ' LEU . 3.3 mt -73.01 -36.94 67.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.557 -0.292 . . . . 1.11 111.038 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -71.63 -38.99 70.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.072 0.463 . . . . 3.91 110.053 179.404 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.86 -34.02 73.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.908 -0.587 . . . . 2.36 110.096 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.647 HD12 HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -75.8 -32.26 59.79 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.336 -0.616 . . . . 1.13 109.336 179.103 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.745 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -64.4 -36.68 84.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.432 0.634 . . . . 1.42 109.649 179.138 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mp -77.7 -29.9 51.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.831 -0.622 . . . . 1.25 110.809 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -76.84 -60.27 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 1.69 111.124 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.647 HD12 HD12 ' A' ' 25' ' ' LEU . 53.5 mt -59.81 -35.11 74.03 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 120.589 0.233 . . . . 1.12 111.097 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.25 -34.52 84.87 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.878 -0.677 . . . . 0.65 112.84 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -95.68 -16.46 21.99 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.268 0.556 . . . . 1.94 110.005 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.35 -8.21 59.45 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.821 -0.627 . . . . 4.39 109.499 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.41 144.29 26.47 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.991 -1.004 . . . . 2.38 109.393 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.3 t -131.31 110.87 15.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.034 -0.728 . . . . 2.36 109.034 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -73.89 152.24 98.01 Favored 'Cis proline' 0 C--N 1.344 0.339 0 C-N-CA 123.146 -1.606 . . . . 2.14 112.7 0.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -55.58 144.54 74.06 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.202 2.602 . . . . 1.42 112.685 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.0 t -85.98 -31.06 6.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.557 -0.747 . . . . 2.02 111.028 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.12 -79.38 1.72 Allowed Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 110.011 -1.236 . . . . 1.61 110.011 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -102.04 87.1 3.01 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.925 -1.139 . . . . 2.77 107.925 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.745 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 5.0 t80 -57.78 -86.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.48 -0.782 . . . . 0.52 110.944 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.709 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 23.0 tpp -111.14 135.5 20.9 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 109.884 -0.413 . . . . 1.11 109.884 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.551 ' HG2' ' HE2' ' A' ' 70' ' ' TYR . 19.1 Cg_exo -65.75 147.92 86.18 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.603 2.202 . . . . 0.37 111.525 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.437 ' HA ' HD13 ' A' ' 46' ' ' LEU . 31.1 t70 -52.93 -38.27 61.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.649 -0.705 . . . . 1.51 111.417 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -55.18 37.38 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.666 -0.697 . . . . 0.97 111.316 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.9 mm -63.26 -38.47 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.535 -0.302 . . . . 1.16 111.183 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.824 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 89.0 mt -56.61 -35.93 68.85 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.843 0.354 . . . . 1.05 110.874 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -75.31 -44.19 46.8 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.893 0.701 . . . . 1.44 112.893 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HB2' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -70.56 -40.79 73.15 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 119.888 -0.725 . . . . 1.43 110.049 179.698 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.824 ' SD ' ' HA ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -65.84 -29.51 69.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.641 -0.709 . . . . 1.07 110.643 179.37 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 46' ' ' LEU . . . -75.24 -29.34 60.2 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.965 0.412 . . . . 1.05 110.914 178.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.555 ' HA ' HD21 ' A' ' 15' ' ' LEU . . . -86.33 -44.91 11.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.291 -0.413 . . . . 1.12 111.91 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -80.82 -36.33 15.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.695 0.284 . . . . 1.11 111.101 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.736 HD21 HG22 ' A' ' 81' ' ' ILE . 12.4 mt 55.64 68.93 2.13 Favored Pre-proline 0 C--O 1.236 0.347 0 CA-C-O 121.309 0.576 . . . . 1.12 110.083 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.618 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 5.8 Cg_exo -80.38 113.19 2.86 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 123.395 2.73 . . . . 0.49 113.326 -179.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.505 ' HG2' ' HA ' ' A' ' 82' ' ' ALA . 40.8 mtp -92.68 -23.32 19.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.096 -0.502 . . . . 1.97 111.075 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -119.13 164.12 16.03 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.246 -0.433 . . . . 3.03 110.891 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.97 -33.12 73.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.475 -0.33 . . . . 2.68 111.672 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -38.16 89.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.238 0.542 . . . . 1.47 110.508 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.618 ' HB1' ' HB3' ' A' ' 54' ' ' PRO . . . -70.82 -26.83 63.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.375 -0.829 . . . . 1.31 109.967 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.417 ' HD1' ' HA ' ' A' ' 60' ' ' PHE . 1.2 m-30 -67.57 -23.81 65.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.741 -0.663 . . . . 0.51 110.653 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.73 -27.03 68.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.449 -0.341 . . . . 1.31 110.955 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.26 -4.15 54.64 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.384 -0.371 . . . . 1.62 111.821 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.416 HD23 ' HB2' ' A' ' 48' ' ' LYS . 1.4 mt -79.02 -11.76 60.01 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.725 0.774 . . . . 1.08 108.988 177.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.42 -99.39 0.79 Allowed Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 110.326 -1.11 . . . . 1.61 110.326 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -153.72 75.58 1.04 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.055 -0.35 . . . . 2.96 110.055 178.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.41 HG13 ' HE2' ' A' ' 74' ' ' PHE . 13.6 m -69.8 138.18 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.629 -0.428 . . . . 1.27 110.331 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.471 ' HB2' ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -70.24 159.92 33.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.226 -0.443 . . . . 2.42 110.095 179.812 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.32 -32.4 71.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.97 -0.559 . . . . 1.72 110.621 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -28.77 67.15 Favored 'General case' 0 C--O 1.23 0.077 0 N-CA-C 109.679 -0.489 . . . . 2.44 109.679 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.551 ' HE2' ' HG2' ' A' ' 42' ' ' PRO . 3.2 m-85 -75.12 -33.37 61.56 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 109.008 -0.738 . . . . 1.91 109.008 177.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 -64.07 -31.75 73.05 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.401 -0.818 . . . . 3.25 110.92 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.711 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -63.22 -65.94 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.109 -0.496 . . . . 5.06 111.589 -179.838 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.651 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -69.26 -4.06 16.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.18 0.514 . . . . 2.23 110.645 179.809 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.41 ' HE2' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -68.31 -38.86 82.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.782 -0.645 . . . . 0.39 110.98 178.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.711 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 6.1 pttt -63.89 -24.81 67.88 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.941 -0.572 . . . . 2.23 111.372 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.651 ' CD2' ' HA ' ' A' ' 73' ' ' ARG . 12.0 m-85 -77.92 -10.63 59.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.016 0.436 . . . . 1.46 110.198 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.709 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.1 OUTLIER -101.46 -17.45 16.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.4 -0.818 . . . . 0.34 110.375 179.456 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -59.15 -29.61 67.55 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.582 -0.736 . . . . 2.06 112.238 -178.097 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.2 77.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.117 0.484 . . . . 1.26 110.712 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.545 ' OG1' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -87.97 -43.12 11.98 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.066 -0.516 . . . . 1.26 111.845 -179.849 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.736 HG22 HD21 ' A' ' 53' ' ' LEU . 56.5 mt -59.3 -39.02 77.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.092 -0.504 . . . . 1.12 110.683 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.505 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -65.66 -44.22 87.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.525 -0.307 . . . . 1.26 111.206 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.46 -44.99 89.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.092 0.472 . . . . 1.4 110.523 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.7 mt -68.51 -33.32 73.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.128 -0.487 . . . . 1.2 111.356 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.556 ' HA ' ' HG2' ' A' ' 88' ' ' ARG . 3.3 t -73.24 -25.61 60.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.419 0.628 . . . . 1.68 109.983 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -77.34 -54.73 6.1 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.487 -0.778 . . . . 3.53 110.573 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.12 -22.71 66.97 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.539 0.94 . . . . 3.36 113.539 -178.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.556 ' HG2' ' HA ' ' A' ' 85' ' ' SER . 0.0 OUTLIER -76.54 -17.17 59.39 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.058 0.392 . . . . 3.45 112.058 -179.544 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.73 -46.3 0.8 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.732 0.642 . . . . 3.42 112.732 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 38.2 m -83.81 50.71 1.87 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.116 0.484 . . . . 3.96 111.796 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.886 0 N-CA-C 108.576 -0.898 . . . . 6.44 108.576 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.492 0 CA-C-O 120.489 0.185 . . . . 6.57 111.289 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.8 -33.8 76.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.528 0.68 . . . . 5.89 110.163 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -101.0 89.84 3.97 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.323 -0.853 . . . . 3.69 111.632 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.05 -24.97 65.14 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.697 -0.853 . . . . 2.92 108.697 178.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.407 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -56.41 -26.77 54.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.431 -1.258 . . . . 1.5 110.592 178.704 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.4 -39.29 79.3 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.699 -0.682 . . . . 4.29 110.36 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -35.61 70.98 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.317 -0.401 . . . . 3.42 110.23 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.703 HG22 HD13 ' A' ' 84' ' ' LEU . 1.5 m -60.83 -52.12 66.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.819 -0.628 . . . . 0.97 109.843 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -64.44 -38.77 92.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.032 -0.986 . . . . 1.04 110.662 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -66.5 -44.92 81.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.545 -0.298 . . . . 2.35 111.369 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -32.73 74.2 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.974 0.416 . . . . 4.27 110.189 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.632 HD23 ' SD ' ' A' ' 49' ' ' MET . 5.3 mt -72.03 -36.41 69.65 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.657 -0.497 . . . . 1.11 109.657 178.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -69.71 -37.48 76.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.412 -0.588 . . . . 3.91 109.412 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -70.66 -37.34 73.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.305 -0.861 . . . . 2.36 110.42 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.55 HD13 ' HG1' ' A' ' 80' ' ' THR . 0.0 OUTLIER -75.89 -37.03 59.26 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.212 -0.662 . . . . 1.13 109.212 -179.786 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.659 ' HG ' ' HZ ' ' A' ' 77' ' ' PHE . 0.6 OUTLIER -63.97 -32.21 73.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.523 -0.762 . . . . 1.42 110.349 179.209 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.38 -33.02 49.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.006 -0.543 . . . . 1.25 110.195 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -73.78 -60.2 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.772 -0.649 . . . . 1.69 111.447 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.575 HD12 ' CE2' ' A' ' 40' ' ' PHE . 9.0 mt -61.61 -36.48 80.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.779 0.323 . . . . 1.12 110.808 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.441 ' HA2' HG23 ' A' ' 37' ' ' VAL . . . -64.91 -27.98 72.87 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.777 -0.725 . . . . 0.65 113.214 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.99 -14.06 19.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.213 0.53 . . . . 1.94 110.37 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -90.18 -4.98 56.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.16 0.505 . . . . 4.39 110.85 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.9 ttp -93.48 160.4 14.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.0 -0.545 . . . . 2.38 110.556 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.407 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 60.4 t -127.84 112.86 20.49 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.474 -0.33 . . . . 2.36 110.642 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 71.9 Cg_endo -80.13 160.88 85.68 Favored 'Cis proline' 0 C--O 1.237 0.453 0 C-N-CA 122.945 -1.69 . . . . 2.14 111.722 -0.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -52.54 126.61 21.39 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.329 2.02 . . . . 1.42 111.726 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.441 HG23 ' HA2' ' A' ' 30' ' ' GLY . 2.4 t -69.07 -43.81 81.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.334 -0.848 . . . . 2.02 111.12 -179.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.3 -67.74 3.57 Favored Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 110.677 -0.969 . . . . 1.61 110.677 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -102.87 60.34 0.79 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.155 0.502 . . . . 2.77 109.738 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.611 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 9.4 t80 -38.5 -79.96 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.86 -1.063 . . . . 0.52 111.607 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.621 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -108.35 126.62 29.19 Favored Pre-proline 0 N--CA 1.442 -0.834 0 N-CA-C 108.802 -0.814 . . . . 1.11 108.802 178.51 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.408 ' HG2' ' HE1' ' A' ' 70' ' ' TYR . 37.5 Cg_exo -58.48 144.68 96.58 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.719 2.279 . . . . 0.37 112.539 -179.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.41 -38.84 60.01 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.788 -0.642 . . . . 1.51 111.184 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.523 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -62.3 -43.21 99.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.97 111.111 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.549 ' O ' ' HB3' ' A' ' 49' ' ' MET . 16.2 mm -72.06 -37.18 59.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 1.16 110.978 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.611 HD23 ' HB3' ' A' ' 22' ' ' LEU . 45.8 mt -64.16 -37.17 86.51 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.028 0.442 . . . . 1.05 110.707 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -67.44 -50.63 58.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.025 -0.534 . . . . 1.44 112.027 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -69.69 -39.87 76.67 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.612 -0.435 . . . . 1.43 111.621 -179.117 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.632 ' SD ' HD23 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -65.48 -31.13 72.04 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.662 -0.245 . . . . 1.07 110.86 -179.348 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.98 -30.4 55.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.989 0.423 . . . . 1.05 110.734 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.407 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . . . -79.93 -40.62 27.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.882 -0.599 . . . . 1.12 112.093 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mp -87.49 -35.78 8.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.547 -0.297 . . . . 1.11 111.38 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.5 mt 52.7 69.26 2.46 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 115.81 -0.632 . . . . 1.12 111.328 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.56 110.67 2.68 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.741 2.961 . . . . 0.49 112.371 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.408 ' HE1' ' HB3' ' A' ' 55' ' ' MET . 22.1 mtp -77.2 -18.37 57.79 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.393 0.516 . . . . 1.97 112.393 -179.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -142.08 172.76 12.24 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.752 -0.379 . . . . 3.03 111.294 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.443 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 1.1 t70 -58.97 -39.36 81.49 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.914 -0.585 . . . . 2.68 111.98 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -39.38 90.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.038 0.447 . . . . 1.47 110.47 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.23 -25.89 66.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.808 -0.633 . . . . 1.31 110.337 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.443 ' HD2' ' HA ' ' A' ' 57' ' ' ASP . 3.8 m-85 -64.97 -21.97 66.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.589 -0.732 . . . . 0.51 111.469 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.75 -27.0 48.51 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.608 0.596 . . . . 1.31 112.608 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -0.72 25.96 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.202 0.445 . . . . 1.62 112.202 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.5 HD12 HG11 ' A' ' 66' ' ' VAL . 7.0 mt -87.4 9.39 20.83 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.86 -0.792 . . . . 1.08 108.86 177.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.58 -78.71 1.89 Allowed Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 110.974 -0.85 . . . . 1.61 110.974 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.89 111.92 1.0 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.654 0.264 . . . . 2.96 110.712 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.726 HG22 ' HD3' ' A' ' 71' ' ' ARG . 13.2 m -107.71 114.85 47.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.121 0.486 . . . . 1.27 110.014 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.511 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 12.1 mt-10 -59.16 161.41 5.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.803 -0.635 . . . . 2.42 111.47 -178.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -36.5 70.12 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.049 0.452 . . . . 1.72 109.849 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.453 ' HA ' ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -61.97 -26.01 67.96 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.929 -0.578 . . . . 2.44 110.85 179.074 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.511 ' CD2' ' HB2' ' A' ' 67' ' ' GLU . 57.1 m-85 -87.12 -33.4 19.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.372 -0.376 . . . . 1.91 110.992 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.726 ' HD3' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -63.93 -34.16 77.35 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-N 116.236 -0.438 . . . . 3.25 111.24 -179.697 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.567 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 6.8 mtt180 -59.55 -40.75 88.25 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 120.748 -0.381 . . . . 5.06 110.833 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.558 ' HA ' ' HD2' ' A' ' 76' ' ' TYR . 3.9 mpt_? -80.73 -7.18 59.28 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 120.367 -0.533 . . . . 2.23 110.484 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.483 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.3 OUTLIER -76.52 -34.35 58.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.519 -0.764 . . . . 0.39 110.459 179.494 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 13.4 pttt -63.77 -22.84 67.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 2.23 110.228 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.558 ' HD2' ' HA ' ' A' ' 73' ' ' ARG . 44.1 m-85 -87.54 -7.15 57.91 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.286 -0.415 . . . . 1.46 110.774 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.659 ' HZ ' ' HG ' ' A' ' 26' ' ' SER . 3.0 m-85 -113.89 -16.05 12.27 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.378 0.51 . . . . 0.34 112.378 -178.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.424 ' HA ' HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -51.24 -35.36 36.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.161 0.8 . . . . 2.06 113.161 -177.399 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.6 -35.67 77.66 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.455 0.645 . . . . 1.26 110.486 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.55 ' HG1' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -77.55 -43.71 30.98 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.603 -0.726 . . . . 1.26 111.26 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 77' ' ' PHE . 12.3 mt -60.65 -37.97 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 116.058 -0.519 . . . . 1.12 110.16 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.83 -42.58 85.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.009 -0.542 . . . . 1.26 111.008 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.1 -51.45 63.92 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.736 -0.665 . . . . 1.4 110.842 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.703 HD13 HG22 ' A' ' 18' ' ' THR . 9.6 mt -65.64 -28.33 69.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.724 0.268 . . . . 1.2 111.724 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.7 t -73.18 -31.14 64.03 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.521 -0.548 . . . . 1.68 109.521 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.61 -30.03 62.73 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 108.731 -0.84 . . . . 3.53 108.731 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.47 ' HG3' ' HA ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -69.71 -32.73 71.47 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.652 -0.704 . . . . 3.36 109.604 178.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.593 ' HG3' ' N ' ' A' ' 89' ' ' SER . 0.1 OUTLIER -61.02 155.01 21.16 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.282 -0.636 . . . . 3.45 109.282 178.165 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.593 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 4.1 m 78.65 -12.46 1.08 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.734 0.814 . . . . 3.42 111.169 -178.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.13 -22.6 12.58 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.366 -0.605 . . . . 3.96 109.366 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.09 -0.957 . . . . 6.44 109.441 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 . . . . . 0 C--O 1.233 0.22 0 CA-C-O 121.781 0.801 . . . . 6.57 109.842 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.5 mt -84.78 6.49 24.27 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.923 -1.035 . . . . 5.89 111.441 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -76.51 55.49 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.376 0.608 . . . . 3.69 110.735 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.29 -15.72 59.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.647 -0.706 . . . . 2.92 110.376 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -33.53 69.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.204 0.526 . . . . 1.5 110.08 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.521 ' NH1' ' HB2' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -63.9 -37.92 89.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.298 -0.865 . . . . 4.29 110.451 179.331 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -43.59 96.35 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 120.958 0.409 . . . . 3.42 110.147 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.654 ' HA ' HD22 ' A' ' 84' ' ' LEU . 13.2 m -62.99 -50.15 71.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.545 -0.752 . . . . 0.97 110.791 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -59.56 -35.84 75.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.401 -0.818 . . . . 1.04 111.444 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.521 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 17.6 tp10 -66.48 -50.56 62.9 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.259 -0.428 . . . . 2.35 111.411 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -32.27 72.68 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.818 0.342 . . . . 4.27 110.767 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.608 ' HB3' HD22 ' A' ' 46' ' ' LEU . 5.8 mt -73.14 -38.09 66.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.837 -0.619 . . . . 1.11 110.524 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -69.34 -40.76 77.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.343 -0.389 . . . . 3.91 110.341 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.01 -36.8 80.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.285 0.564 . . . . 2.36 110.059 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.528 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -72.57 -35.01 67.86 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.996 -0.547 . . . . 1.13 109.651 179.551 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.825 ' HG ' ' HZ ' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -66.11 -33.19 75.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.684 -0.689 . . . . 1.42 110.424 179.695 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 mp -81.66 -32.2 31.92 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.603 -0.517 . . . . 1.25 109.603 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.76 -61.27 2.05 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.697 -0.683 . . . . 1.69 110.945 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.464 ' CD1' HD11 ' A' ' 25' ' ' LEU . 9.1 mt -68.49 -32.97 73.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 1.12 109.957 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.539 ' HA2' HG22 ' A' ' 37' ' ' VAL . . . -63.24 -44.52 96.91 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.579 -0.737 . . . . 0.65 113.447 -179.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -82.69 -12.5 57.54 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 117.677 0.738 . . . . 1.94 111.412 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 32' ' ' ARG . 3.0 ttm105 -91.05 -3.9 56.8 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.213 0.53 . . . . 4.39 110.065 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.461 ' HE2' ' HE1' ' A' ' 40' ' ' PHE . 4.4 ttm -92.23 156.11 17.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.912 -0.585 . . . . 2.38 109.881 178.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.7 t -131.72 113.93 15.35 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.616 -0.265 . . . . 2.36 110.471 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.06 150.61 95.96 Favored 'Cis proline' 0 C--O 1.238 0.51 0 C-N-CA 123.401 -1.499 . . . . 2.14 112.398 0.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.61 137.25 80.38 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.674 2.25 . . . . 1.42 112.373 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.539 HG22 ' HA2' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -91.61 118.13 36.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.51 -0.768 . . . . 2.02 110.751 -179.574 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.59 -21.24 79.66 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.404 -0.903 . . . . 1.61 111.205 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -140.54 75.59 1.51 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.558 -0.534 . . . . 2.77 109.558 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.687 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 34.2 t80 -48.59 -56.66 7.79 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 108.842 -0.799 . . . . 0.52 108.842 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.674 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 5.0 tpp -130.23 125.37 21.79 Favored Pre-proline 0 N--CA 1.445 -0.721 0 N-CA-C 107.498 -1.297 . . . . 1.11 107.498 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.435 ' HG2' ' HE1' ' A' ' 70' ' ' TYR . 37.2 Cg_exo -61.13 140.29 88.54 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.0 1.8 . . . . 0.37 112.289 -178.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.419 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 3.1 p-10 -50.35 -38.43 42.13 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.386 -0.37 . . . . 1.51 111.925 -179.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.475 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -60.83 -41.35 95.58 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.167 0.508 . . . . 0.97 110.92 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.444 ' O ' ' HB3' ' A' ' 49' ' ' MET . 6.0 mm -77.17 -37.36 25.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.909 -0.587 . . . . 1.16 110.274 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.867 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 47.9 mt -59.75 -35.15 73.99 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.877 0.37 . . . . 1.05 110.167 179.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 3.4 mttt -73.91 -44.84 53.85 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.071 -0.513 . . . . 1.44 112.294 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 44' ' ' SER . 4.9 ptpt -70.57 -39.19 74.04 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 119.515 -0.874 . . . . 1.43 110.507 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.867 ' SD ' ' HA ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -66.58 -31.93 72.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.307 -0.406 . . . . 1.07 110.437 179.197 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 46' ' ' LEU . . . -76.83 -30.88 56.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 1.05 111.726 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.67 -40.73 33.16 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.075 0.398 . . . . 1.12 112.075 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 48' ' ' LYS . 1.4 mp -89.51 -42.19 14.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.616 -0.266 . . . . 1.11 111.484 -178.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.468 HD22 HG21 ' A' ' 81' ' ' ILE . 14.9 mt 54.94 75.4 0.61 Allowed Pre-proline 0 C--N 1.328 -0.345 0 O-C-N 123.797 0.686 . . . . 1.12 109.85 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.458 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 1.8 Cg_endo -79.01 112.98 3.17 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.752 2.301 . . . . 0.49 112.537 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.518 ' SD ' ' HB3' ' A' ' 85' ' ' SER . 72.0 mtp -91.8 12.28 21.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.988 -0.551 . . . . 1.97 110.679 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -143.12 149.57 38.29 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.806 -0.634 . . . . 3.03 110.413 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -34.67 78.87 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.535 0.522 . . . . 2.68 110.915 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.28 -37.44 77.85 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.786 -0.82 . . . . 1.47 108.786 178.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.93 -30.09 71.06 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 115.124 -0.944 . . . . 1.31 110.7 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.551 ' CD1' HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -57.48 -25.22 59.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.779 -0.646 . . . . 0.51 111.257 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.84 -22.53 64.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 1.31 111.654 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.5 p -66.23 -16.63 64.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.761 0.315 . . . . 1.62 111.752 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.551 HD13 ' CD1' ' A' ' 60' ' ' PHE . 46.3 mt -84.04 -5.8 59.3 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.007 0.432 . . . . 1.08 109.906 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.24 -152.75 17.49 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.305 -1.118 . . . . 1.61 110.305 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.55 69.54 1.24 Allowed 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 117.21 0.505 . . . . 2.96 110.055 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.4 m -55.45 136.11 18.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.019 -0.537 . . . . 1.27 110.945 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.619 ' H ' ' HD2' ' A' ' 70' ' ' TYR . 4.2 mt-10 -77.38 163.96 25.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.592 -0.731 . . . . 2.42 110.19 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -58.17 -32.82 68.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.052 0.453 . . . . 1.72 110.12 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 72' ' ' ARG . 2.9 pttt -61.05 -27.29 68.23 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.793 -0.64 . . . . 2.44 110.666 178.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.619 ' HD2' ' H ' ' A' ' 67' ' ' GLU . 75.9 m-85 -87.36 -33.95 18.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.051 0.453 . . . . 1.91 109.802 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.514 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 5.9 mmm180 -63.5 -33.36 75.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.194 -0.912 . . . . 3.25 111.248 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.679 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 50.9 mtp180 -54.27 -55.24 30.19 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-O 121.079 0.466 . . . . 5.06 110.793 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.573 ' HA ' ' HD2' ' A' ' 76' ' ' TYR . 4.3 mpt_? -75.2 -8.61 57.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.731 -0.668 . . . . 2.23 110.932 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.514 ' HB2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -72.76 -37.7 67.56 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.688 -0.687 . . . . 0.39 110.433 179.02 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.679 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 7.0 pttt -67.74 -22.09 65.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.173 -0.467 . . . . 2.23 110.521 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.573 ' HD2' ' HA ' ' A' ' 73' ' ' ARG . 20.5 m-85 -89.73 -4.56 57.64 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.93 0.395 . . . . 1.46 110.7 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.825 ' HZ ' ' HG ' ' A' ' 26' ' ' SER . 1.3 m-85 -112.59 -13.81 13.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.861 -0.609 . . . . 0.34 112.145 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -54.12 -29.29 44.43 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 114.087 1.143 . . . . 2.06 114.087 -177.135 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.81 -34.85 51.91 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.764 -0.585 . . . . 1.26 111.146 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.81 -48.94 13.81 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.79 -0.641 . . . . 1.26 110.754 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.641 HD11 ' HE1' ' A' ' 49' ' ' MET . 97.9 mt -57.15 -38.68 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.327 -0.397 . . . . 1.12 110.875 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 78' ' ' LYS . . . -70.18 -46.91 63.65 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.01 0.433 . . . . 1.26 110.408 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.956 ' HA ' ' HD3' ' A' ' 86' ' ' LYS . 27.8 t0 -61.21 -42.59 98.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.882 -0.599 . . . . 1.4 111.643 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.654 HD22 ' HA ' ' A' ' 18' ' ' THR . 18.3 mt -59.81 -29.59 68.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.55 -0.296 . . . . 1.2 111.399 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.518 ' HB3' ' SD ' ' A' ' 55' ' ' MET . 3.5 t -78.84 -29.05 44.41 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.84 -0.43 . . . . 1.68 109.84 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.956 ' HD3' ' HA ' ' A' ' 83' ' ' ASP . 1.1 mtpm? -69.82 -42.85 73.09 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.366 -0.605 . . . . 3.53 109.366 178.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -26.8 63.48 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.755 -0.657 . . . . 3.36 109.953 178.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -80.79 46.82 0.91 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.396 0.617 . . . . 3.45 110.463 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -27.98 60.92 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.784 -0.45 . . . . 3.42 109.784 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m 68.51 26.48 6.49 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.229 -0.896 . . . . 3.96 110.608 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 . . . . . 0 C--O 1.252 1.196 0 CA-C-N 115.328 -0.851 . . . . 6.44 109.368 178.677 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.44 -0.95 0 N-CA-C 108.1 -1.074 . . . . 6.57 108.1 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.8 HD22 HD11 ' A' ' 15' ' ' LEU . 16.1 mt -91.94 48.85 1.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.942 -1.026 . . . . 5.89 109.741 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -36.78 82.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.436 -0.802 . . . . 3.69 111.413 -179.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.554 ' ND2' ' HB3' ' A' ' 91' ' ' GLU . 0.8 OUTLIER -72.61 -38.66 67.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.388 -0.369 . . . . 2.92 110.53 179.402 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.8 HD11 HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -61.34 -31.27 71.14 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.236 0.541 . . . . 1.5 109.963 178.784 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -65.35 -38.56 90.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.77 -0.65 . . . . 4.29 109.499 178.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 ttt -68.38 -35.5 77.8 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 121.445 0.641 . . . . 3.42 109.512 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.559 ' HA ' HD22 ' A' ' 84' ' ' LEU . 31.1 m -63.67 -47.65 80.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.481 -0.781 . . . . 0.97 109.771 178.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -65.48 -43.98 88.53 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.674 -0.694 . . . . 1.04 110.899 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.75 -39.1 93.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.406 -0.361 . . . . 2.35 111.119 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.515 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -65.23 -31.06 72.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.208 0.528 . . . . 4.27 109.712 178.789 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.921 ' HB3' HD23 ' A' ' 46' ' ' LEU . 4.8 mt -74.87 -36.73 62.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.46 -0.791 . . . . 1.11 110.496 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' O ' HD12 ' A' ' 27' ' ' LEU . 3.5 ttt180 -73.75 -39.92 63.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.075 0.464 . . . . 3.91 109.885 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -67.04 -35.15 79.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.169 -0.469 . . . . 2.36 109.82 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.515 ' HB2' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -75.55 -33.53 60.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.576 -0.738 . . . . 1.13 109.238 178.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.627 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -68.84 -39.05 80.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.877 -0.601 . . . . 1.42 110.627 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 23' ' ' ARG . 3.6 mp -76.67 -30.79 56.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.167 0.508 . . . . 1.25 110.234 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -74.85 -57.42 3.92 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.89 -0.596 . . . . 1.69 110.905 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.463 HD11 ' CE2' ' A' ' 40' ' ' PHE . 62.1 mt -61.14 -38.36 86.13 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.197 -0.456 . . . . 1.12 110.899 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.585 ' O ' ' HA ' ' A' ' 36' ' ' PRO . . . -63.73 -47.4 86.85 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.307 -0.949 . . . . 0.65 111.137 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.505 ' HA ' ' HB3' ' A' ' 36' ' ' PRO . 63.8 t30 -70.54 -11.89 61.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.386 0.612 . . . . 1.94 109.821 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 32' ' ' ARG . 3.1 ttp180 -92.27 -3.41 55.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.257 -0.883 . . . . 4.39 109.9 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.79 165.41 11.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.858 -0.61 . . . . 2.38 110.212 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 43.2 t -131.37 111.73 15.33 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 110.352 -0.24 . . . . 2.36 110.352 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 66.0 Cg_endo -76.96 155.52 97.48 Favored 'Cis proline' 0 C--O 1.237 0.465 0 C-N-CA 123.191 -1.587 . . . . 2.14 111.838 0.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.585 ' HA ' ' O ' ' A' ' 30' ' ' GLY . 14.0 Cg_endo -57.2 129.59 35.02 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.622 2.215 . . . . 1.42 112.673 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.49 104.67 16.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.271 -0.877 . . . . 2.02 109.933 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.59 -26.31 74.62 Favored Glycine 0 C--O 1.227 -0.317 0 CA-C-N 116.046 -0.524 . . . . 1.61 111.928 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -112.14 49.47 0.91 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.415 0.626 . . . . 2.77 109.566 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.627 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 28.6 t80 -42.3 -51.69 4.74 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.065 -0.97 . . . . 0.52 110.675 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.625 ' HE3' ' CE1' ' A' ' 74' ' ' PHE . 7.8 tpp -136.23 121.28 13.17 Favored Pre-proline 0 N--CA 1.444 -0.764 0 N-CA-C 107.823 -1.177 . . . . 1.11 107.823 177.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.45 146.1 75.96 Favored 'Trans proline' 0 N--CA 1.471 0.165 0 C-N-CA 123.159 2.573 . . . . 0.37 112.956 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.465 ' CG ' ' HZ1' ' A' ' 47' ' ' LYS . 5.5 t70 -52.14 -39.87 60.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.948 -0.569 . . . . 1.51 111.194 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.629 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -62.88 -42.37 99.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.305 -0.407 . . . . 0.97 111.153 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.423 ' O ' ' HB3' ' A' ' 49' ' ' MET . 7.1 mm -73.05 -37.07 52.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 1.16 111.014 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.921 HD23 ' HB3' ' A' ' 22' ' ' LEU . 83.3 mt -61.64 -38.03 86.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.515 -0.311 . . . . 1.05 110.355 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.465 ' HZ1' ' CG ' ' A' ' 43' ' ' ASP . 12.4 mttt -68.99 -47.75 64.78 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.889 0.7 . . . . 1.44 112.889 -178.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.629 ' HG2' ' O ' ' A' ' 44' ' ' SER . 8.1 ptpt -68.12 -41.44 81.72 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.149 0.499 . . . . 1.43 110.872 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.627 ' HE3' ' HE1' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -65.89 -30.01 70.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.847 -0.615 . . . . 1.07 110.593 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.87 -29.31 44.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.974 0.416 . . . . 1.05 111.29 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.39 -45.52 17.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.172 -0.467 . . . . 1.12 112.172 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -81.89 -36.5 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.954 0.407 . . . . 1.11 110.776 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.746 HD23 HG23 ' A' ' 81' ' ' ILE . 12.2 mt 54.83 68.6 2.5 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.232 -0.894 . . . . 1.12 111.94 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.459 ' HB3' ' HB2' ' A' ' 59' ' ' ALA . 1.4 Cg_endo -80.75 105.46 1.69 Allowed 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.867 2.378 . . . . 0.49 111.176 179.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.472 ' HB2' ' HE2' ' A' ' 55' ' ' MET . 0.8 OUTLIER -70.09 -14.43 62.66 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.457 0.91 . . . . 1.97 113.457 -178.069 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -155.46 -172.76 4.27 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 122.067 -0.396 . . . . 3.03 110.824 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -68.07 -176.34 0.69 Allowed 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.458 -0.571 . . . . 2.68 109.458 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 m 70.45 -49.28 0.65 Allowed 'General case' 0 CA--C 1.534 0.359 0 O-C-N 123.46 0.475 . . . . 1.47 110.999 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' A' ' 54' ' ' PRO . . . -74.09 -29.61 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.346 -0.613 . . . . 1.31 109.346 178.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.97 -26.08 14.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.1 -0.955 . . . . 0.51 112.076 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.13 -23.11 65.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.325 -0.398 . . . . 1.31 111.962 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.0 p -72.69 -11.86 60.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.837 0.31 . . . . 1.62 111.837 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 49' ' ' MET . 17.0 mt -75.67 -8.67 57.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.955 0.407 . . . . 1.08 110.085 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.5 -110.63 2.63 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.557 -0.83 . . . . 1.61 111.416 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.97 71.01 1.46 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.842 0.353 . . . . 2.96 111.234 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.416 ' O ' HG21 ' A' ' 66' ' ' VAL . 27.2 m -72.68 129.21 35.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 120.134 -0.626 . . . . 1.27 109.8 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.95 160.64 23.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.972 -0.558 . . . . 2.42 110.264 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.07 -34.37 73.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.733 -0.667 . . . . 1.72 109.473 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -63.61 -28.94 70.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.518 -0.765 . . . . 2.44 109.873 178.482 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.457 ' N ' ' HG2' ' A' ' 69' ' ' LYS . 69.0 m-85 -78.61 -36.77 43.71 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.534 -0.543 . . . . 1.91 109.534 178.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.457 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -62.91 -35.15 79.11 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.627 0.58 . . . . 3.25 109.726 178.399 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.541 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -56.92 -67.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.254 -0.885 . . . . 5.06 112.035 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -3.82 33.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.255 0.55 . . . . 2.23 110.638 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.627 ' HE1' ' HE3' ' A' ' 49' ' ' MET . 0.0 OUTLIER -61.93 -35.13 77.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.789 -0.641 . . . . 0.39 110.18 179.014 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -55.57 -23.65 28.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.617 -0.72 . . . . 2.23 112.455 -179.646 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -76.93 -8.26 57.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.546 0.212 . . . . 1.46 111.244 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.618 ' HZ ' ' HG ' ' A' ' 26' ' ' SER . 8.9 m-85 -112.89 -17.21 12.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.275 -0.421 . . . . 0.34 110.882 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -31.25 18.88 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 114.457 1.28 . . . . 2.06 114.457 -177.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.55 -32.92 28.34 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.156 -0.618 . . . . 1.26 110.521 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.65 -45.79 50.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.582 -0.736 . . . . 1.26 111.019 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.746 HG23 HD23 ' A' ' 53' ' ' LEU . 8.1 mt -60.32 -38.31 77.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.194 0.521 . . . . 1.12 110.08 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.33 -46.81 78.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.909 -0.587 . . . . 1.26 110.477 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -42.52 93.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.867 -0.606 . . . . 1.4 110.529 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.559 HD22 ' HA ' ' A' ' 18' ' ' THR . 16.3 mt -63.19 -31.36 72.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 1.2 110.868 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.31 -31.17 65.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.902 -0.59 . . . . 1.68 111.055 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -84.79 -24.52 28.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.887 0.375 . . . . 3.53 110.967 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -77.58 -37.59 50.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.178 0.513 . . . . 3.36 109.85 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -82.54 49.35 1.44 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.57 -0.741 . . . . 3.45 111.2 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.1 m -94.24 -58.14 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.817 0.342 . . . . 3.42 111.064 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.42 -7.2 12.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.298 0.57 . . . . 3.96 110.703 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.554 ' HB3' ' ND2' ' A' ' 14' ' ' ASN . 1.1 mm-40 . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.351 -0.833 . . . . 6.44 109.512 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 N--CA 1.467 0.379 0 N-CA-C 108.19 -1.041 . . . . 6.57 108.19 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.63 171.72 13.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.698 -1.137 . . . . 5.89 111.159 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -92.55 47.67 1.32 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.592 -0.731 . . . . 3.69 109.405 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -67.65 -45.42 75.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.414 -0.812 . . . . 2.92 110.182 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -38.11 89.4 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.132 0.491 . . . . 1.5 109.947 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -67.98 -39.9 83.19 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.935 -0.575 . . . . 4.29 110.024 178.893 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.473 ' HE3' ' HB3' ' A' ' 17' ' ' MET . 1.3 tmm? -61.74 -41.28 97.45 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.384 0.611 . . . . 3.42 109.956 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.629 HG22 HD11 ' A' ' 84' ' ' LEU . 7.4 m -63.94 -44.49 92.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.029 -0.987 . . . . 0.97 109.809 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -66.32 -41.58 89.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 1.04 110.574 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.4 -46.47 88.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 2.35 110.918 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -64.36 -34.9 79.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.501 -0.318 . . . . 4.27 110.718 179.562 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.705 ' HB3' HD23 ' A' ' 46' ' ' LEU . 2.8 mt -72.24 -40.28 67.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.498 -0.319 . . . . 1.11 110.71 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -40.86 89.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.814 0.34 . . . . 3.91 110.832 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.73 -34.53 75.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.935 0.398 . . . . 2.36 110.202 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.599 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -73.35 -34.87 65.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.81 -0.632 . . . . 1.13 110.164 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.663 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 51.0 m -64.67 -36.54 84.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.13 0.49 . . . . 1.42 110.487 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.92 -33.12 63.85 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.936 -0.575 . . . . 1.25 110.898 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -78.2 -53.35 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.944 -0.571 . . . . 1.69 112.04 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.594 HD13 ' CE2' ' A' ' 40' ' ' PHE . 93.8 mt -64.12 -32.94 74.69 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.692 0.282 . . . . 1.12 111.11 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.03 -33.61 79.96 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.947 -0.644 . . . . 0.65 113.075 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -99.76 -11.57 20.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 117.074 0.437 . . . . 1.94 110.339 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -93.62 -2.67 53.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.909 0.385 . . . . 4.39 110.913 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.6 159.36 15.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.196 -0.457 . . . . 2.38 110.853 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 3.3 t -122.79 108.26 33.05 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.46 -0.336 . . . . 2.36 110.587 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 74.5 Cg_endo -84.97 168.6 51.61 Favored 'Cis proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.975 -1.26 . . . . 2.14 111.662 -0.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -52.04 138.32 53.1 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.918 2.412 . . . . 1.42 112.481 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.4 t -92.82 -30.05 4.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.842 -0.617 . . . . 2.02 111.929 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.77 -77.19 1.49 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.263 -0.97 . . . . 1.61 110.809 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -102.49 73.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.334 -0.617 . . . . 2.77 109.334 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.663 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 8.1 t80 -43.69 -75.47 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 114.853 -1.067 . . . . 0.52 111.939 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.729 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -117.43 132.41 23.57 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.388 -0.597 . . . . 1.11 109.388 179.524 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 41' ' ' MET . 8.2 Cg_exo -71.48 146.91 51.03 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 122.616 2.211 . . . . 0.37 111.533 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.484 ' CG ' ' HZ3' ' A' ' 47' ' ' LYS . 2.2 t70 -48.46 -40.99 28.26 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.776 0.673 . . . . 1.51 111.819 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -48.97 79.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.468 . . . . 0.97 111.444 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.583 HD11 ' HD2' ' A' ' 48' ' ' LYS . 31.4 mm -69.78 -35.73 66.59 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 CA-C-N 116.282 -0.417 . . . . 1.16 111.105 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.705 HD23 ' HB3' ' A' ' 22' ' ' LEU . 20.7 mt -62.56 -37.46 86.23 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.409 -0.36 . . . . 1.05 110.839 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.484 ' HZ3' ' CG ' ' A' ' 43' ' ' ASP . 25.0 mttt -68.96 -52.02 33.48 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.177 0.436 . . . . 1.44 112.177 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.583 ' HD2' HD11 ' A' ' 45' ' ' ILE . 4.7 ptpt -64.15 -42.26 96.83 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.906 0.384 . . . . 1.43 111.041 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.676 ' SD ' HD23 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -65.47 -30.43 71.21 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.142 -0.481 . . . . 1.07 110.836 -179.707 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.14 -30.51 43.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.78 0.324 . . . . 1.05 111.4 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.24 -40.73 23.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.298 -0.41 . . . . 1.12 111.383 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.634 HG22 ' HG3' ' A' ' 54' ' ' PRO . 1.6 mp -88.53 -34.82 7.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 CA-C-N 116.574 -0.284 . . . . 1.11 111.465 -179.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.773 HD22 HG22 ' A' ' 81' ' ' ILE . 12.4 mt 53.37 67.99 3.28 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.754 -0.657 . . . . 1.12 110.421 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.929 ' HB3' ' HB2' ' A' ' 59' ' ' ALA . 6.1 Cg_exo -79.03 118.48 4.07 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 123.554 2.836 . . . . 0.49 112.389 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.584 ' HE1' ' HB3' ' A' ' 82' ' ' ALA . 3.7 mtp -95.78 -20.05 19.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.602 -0.727 . . . . 1.97 111.247 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.486 ' OD1' ' HB1' ' A' ' 59' ' ' ALA . 25.8 p-10 -123.84 166.68 15.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.197 0.523 . . . . 3.03 111.666 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -56.81 -45.39 82.31 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.208 -0.906 . . . . 2.68 112.695 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.51 -38.53 71.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.681 0.277 . . . . 1.47 111.665 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.929 ' HB2' ' HB3' ' A' ' 54' ' ' PRO . . . -72.38 -28.61 63.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.217 0.532 . . . . 1.31 111.004 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.509 ' CD1' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -67.13 -25.64 66.28 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.679 -0.408 . . . . 0.51 110.747 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.22 -26.93 64.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 1.31 110.785 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.85 0.23 28.0 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.987 -0.285 . . . . 1.62 111.456 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.509 HD11 ' CD1' ' A' ' 60' ' ' PHE . 35.8 mt -83.82 21.1 1.34 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.775 -0.454 . . . . 1.08 109.775 178.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.51 ' C ' ' HG1' ' A' ' 65' ' ' THR . . . 79.86 32.25 37.16 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.551 -1.02 . . . . 1.61 110.551 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.51 ' HG1' ' C ' ' A' ' 64' ' ' GLY . 0.0 OUTLIER 56.67 82.11 0.12 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.408 0.683 . . . . 2.96 111.645 -179.485 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.582 HG12 HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -65.65 138.02 23.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 115.568 -0.742 . . . . 1.27 110.606 179.463 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.5 146.19 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.938 -0.574 . . . . 2.42 110.242 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -56.34 -35.34 67.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.404 -0.362 . . . . 1.72 111.284 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -66.67 -26.55 67.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.286 -0.416 . . . . 2.44 111.069 179.386 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.408 ' N ' ' HG2' ' A' ' 69' ' ' LYS . 11.3 m-85 -82.9 -33.06 27.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 1.91 110.098 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.531 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 37.5 mtm-85 -68.42 -34.16 75.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.716 -0.674 . . . . 3.25 110.958 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -54.22 49.45 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 112.604 0.594 . . . . 5.06 112.604 -178.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -85.89 -0.54 55.66 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.27 0.557 . . . . 2.23 109.749 -179.743 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.531 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -58.12 -35.05 70.92 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.33 -0.85 . . . . 0.39 110.664 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.77 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -54.21 -24.37 18.18 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.08 0.77 . . . . 2.23 113.08 -178.81 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.601 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 91.7 m-85 -73.9 -10.31 59.52 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.828 -0.349 . . . . 1.46 110.726 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.729 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.4 OUTLIER -105.99 -12.99 15.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.308 -0.405 . . . . 0.34 111.06 179.89 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.77 ' HD3' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -57.96 -32.84 68.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.983 0.364 . . . . 2.06 111.983 -178.447 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.56 -32.43 72.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.414 0.626 . . . . 1.26 110.427 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.03 -46.56 13.77 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.524 -0.762 . . . . 1.26 111.427 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.773 HG22 HD22 ' A' ' 53' ' ' LEU . 51.1 mt -58.26 -43.03 85.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.239 -0.437 . . . . 1.12 110.573 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.584 ' HB3' ' HE1' ' A' ' 55' ' ' MET . . . -61.19 -49.92 75.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 1.26 111.333 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.12 -43.97 93.66 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.901 -0.59 . . . . 1.4 111.516 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.629 HD11 HG22 ' A' ' 18' ' ' THR . 34.3 mt -67.51 -30.5 70.19 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.652 -0.249 . . . . 1.2 111.46 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 t -79.18 -30.8 43.65 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.914 -0.402 . . . . 1.68 109.914 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -73.18 -46.07 52.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.86 -0.609 . . . . 3.53 109.926 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -71.81 -24.73 61.77 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.036 -0.529 . . . . 3.36 111.451 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -55.65 -50.89 69.0 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.389 -0.369 . . . . 3.45 111.207 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.63 20.13 4.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.978 0.418 . . . . 3.42 111.431 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.72 39.95 1.4 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.093 0.473 . . . . 3.96 110.179 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.523 -0.751 . . . . 6.44 110.317 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.473 0.682 0 CA-C-O 121.074 0.464 . . . . 6.57 110.818 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 mt -81.23 53.85 2.13 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.884 -0.598 . . . . 5.89 109.872 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -83.31 76.48 9.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.593 -0.731 . . . . 3.69 110.121 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.97 -28.27 61.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.732 -0.667 . . . . 2.92 110.042 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.81 -36.94 84.8 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.875 -0.417 . . . . 1.5 109.875 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.44 -40.37 67.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.235 0.54 . . . . 4.29 109.743 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 45.5 ttp -60.46 -43.59 96.73 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.391 -0.822 . . . . 3.42 110.178 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.776 ' HA ' HD22 ' A' ' 84' ' ' LEU . 8.5 m -66.04 -49.42 67.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.365 -0.834 . . . . 0.97 110.241 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -58.48 -44.43 89.35 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.048 -0.524 . . . . 1.04 110.632 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -48.24 82.65 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.007 -0.542 . . . . 2.35 110.681 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -63.1 -34.13 76.93 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.857 -0.61 . . . . 4.27 110.416 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.762 ' HB3' HD21 ' A' ' 46' ' ' LEU . 5.4 mt -72.75 -36.86 67.81 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.213 -0.449 . . . . 1.11 110.521 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -43.74 68.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.562 -0.29 . . . . 3.91 111.025 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -67.8 -35.18 78.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.399 0.619 . . . . 2.36 110.414 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.54 ' HB2' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -73.22 -43.65 60.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.56 -0.745 . . . . 1.13 109.473 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.59 ' HB2' ' O ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -62.62 -34.13 76.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.108 -0.496 . . . . 1.42 112.164 -179.575 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 mp -78.52 -32.48 48.09 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.981 0.42 . . . . 1.25 110.516 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -71.62 -56.09 6.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.554 -0.748 . . . . 1.69 110.688 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.566 HD11 ' CE2' ' A' ' 40' ' ' PHE . 11.4 mt -66.39 -33.89 76.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.059 -0.519 . . . . 1.12 110.421 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.621 ' HA2' HG22 ' A' ' 37' ' ' VAL . . . -61.51 -46.63 93.93 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.851 -0.613 . . . . 0.65 112.372 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -77.06 -12.99 60.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 1.94 111.051 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -91.75 -6.22 52.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.238 0.542 . . . . 4.39 109.968 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.39 156.68 16.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.46 -0.791 . . . . 2.38 109.712 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.2 t -133.4 119.21 15.19 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.146 -0.316 . . . . 2.36 110.146 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.74 145.32 76.77 Favored 'Cis proline' 0 C--O 1.235 0.339 0 C-N-CA 123.826 -1.322 . . . . 2.14 112.443 0.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -53.33 128.33 28.78 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.647 2.231 . . . . 1.42 112.334 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.621 HG22 ' HA2' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -89.84 113.12 25.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.673 -0.694 . . . . 2.02 110.182 -179.749 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.82 -26.18 71.02 Favored Glycine 0 C--N 1.334 0.44 0 N-CA-C 109.55 -1.42 . . . . 1.61 109.55 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -137.07 81.46 1.87 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 114.389 -0.905 . . . . 2.77 109.43 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CE2' HD11 ' A' ' 29' ' ' LEU . 39.6 t80 -50.02 -36.14 27.55 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.018 -0.992 . . . . 0.52 109.711 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.66 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 8.5 tpp -142.14 125.69 9.69 Favored Pre-proline 0 N--CA 1.445 -0.7 0 N-CA-C 107.383 -1.34 . . . . 1.11 107.383 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -56.35 141.54 89.0 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 121.784 1.656 . . . . 0.37 112.29 -178.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.613 ' HA ' HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -51.4 -35.9 41.11 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.716 0.635 . . . . 1.51 110.499 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.559 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -60.63 -49.62 76.8 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.692 -0.685 . . . . 0.97 110.894 178.74 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.455 ' O ' ' HB3' ' A' ' 49' ' ' MET . 1.2 mm -69.45 -35.81 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 116.428 -0.351 . . . . 1.16 110.35 178.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.762 HD21 ' HB3' ' A' ' 22' ' ' LEU . 56.8 mt -61.04 -37.23 81.88 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.698 0.285 . . . . 1.05 110.379 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -70.49 -51.16 30.97 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.576 0.584 . . . . 1.44 112.576 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -66.47 -38.93 88.41 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.688 -0.405 . . . . 1.43 111.379 -179.371 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.495 ' HE2' ' HE1' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -68.2 -29.92 68.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.15 -0.315 . . . . 1.07 110.15 179.829 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.719 ' HA ' HG21 ' A' ' 18' ' ' THR . . . -79.7 -29.75 40.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.359 -0.382 . . . . 1.05 110.953 178.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.02 -39.6 23.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.396 -0.365 . . . . 1.12 111.698 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -92.05 -39.41 11.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 C-N-CA 120.636 -0.426 . . . . 1.11 111.038 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.542 HD23 HG22 ' A' ' 18' ' ' THR . 6.8 mt 59.38 73.7 0.65 Allowed Pre-proline 0 C--O 1.234 0.263 0 CA-C-N 115.469 -0.787 . . . . 1.12 110.51 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.464 ' HG2' ' CE1' ' A' ' 60' ' ' PHE . 13.7 Cg_endo -88.32 110.16 0.61 Allowed 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.048 2.499 . . . . 0.49 112.069 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.41 -49.46 9.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.05 -0.523 . . . . 1.97 110.732 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.431 ' ND2' ' H ' ' A' ' 58' ' ' SER . 0.1 OUTLIER -81.76 147.85 29.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.72 -0.673 . . . . 3.03 110.618 -179.642 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.607 ' O ' ' HB2' ' A' ' 60' ' ' PHE . 50.0 m-20 -64.44 -28.91 70.0 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.761 0.652 . . . . 2.68 112.761 -178.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.431 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -69.69 -35.22 74.91 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.911 -0.493 . . . . 1.47 110.718 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.94 -24.64 66.1 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.553 0.692 . . . . 1.31 109.834 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.607 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -59.93 -22.29 62.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.173 -0.922 . . . . 0.51 111.735 179.798 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.2 -27.1 68.74 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.334 0.494 . . . . 1.31 112.334 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.75 -8.05 59.66 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.793 0.33 . . . . 1.62 111.558 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 4.0 mt -74.18 -20.67 60.13 Favored 'General case' 0 N--CA 1.461 0.098 0 N-CA-C 108.371 -0.974 . . . . 1.08 108.371 177.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.67 -127.92 6.34 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.112 -1.195 . . . . 1.61 110.112 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.38 74.17 1.03 Allowed 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 121.033 -0.267 . . . . 2.96 111.522 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 m -71.93 131.18 34.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 N-CA-C 109.469 -0.567 . . . . 1.27 109.469 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.496 ' HB2' ' CD1' ' A' ' 70' ' ' TYR . 1.1 mt-10 -68.35 168.02 13.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.121 0.486 . . . . 2.42 111.673 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.6 -36.22 83.52 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.131 -0.692 . . . . 1.72 109.131 178.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -66.28 -27.47 67.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.652 -0.703 . . . . 2.44 110.33 178.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.496 ' CD1' ' HB2' ' A' ' 67' ' ' GLU . 11.8 m-85 -78.54 -41.12 33.05 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.764 -0.653 . . . . 1.91 109.633 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.449 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 0.8 OUTLIER -63.1 -35.84 81.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.859 -0.61 . . . . 3.25 110.658 179.616 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -56.68 -76.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.861 -0.609 . . . . 5.06 111.44 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -65.1 -6.05 8.07 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.51 -0.768 . . . . 2.23 111.524 -179.324 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.495 ' HE1' ' HE2' ' A' ' 49' ' ' MET . 0.1 OUTLIER -56.04 -33.25 64.77 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.239 -0.652 . . . . 0.39 109.239 177.862 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.466 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -58.05 -24.82 59.93 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.177 -0.919 . . . . 2.23 111.924 179.72 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -73.24 -12.59 60.91 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.999 0.428 . . . . 1.46 110.475 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.66 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 2.4 m-85 -106.18 -16.33 14.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.483 -0.78 . . . . 0.34 109.597 178.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.466 ' HB2' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -54.25 -32.97 57.42 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.743 0.646 . . . . 2.06 112.743 -178.424 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.16 -34.68 63.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.296 0.57 . . . . 1.26 110.031 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.67 -45.96 34.02 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.407 -0.815 . . . . 1.26 111.004 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 77' ' ' PHE . 22.7 mt -61.01 -25.38 35.9 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 CA-C-N 116.296 -0.411 . . . . 1.12 110.158 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.68 -33.55 53.22 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.111 0.481 . . . . 1.26 111.382 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.29 -45.19 18.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.195 -0.457 . . . . 1.4 110.883 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.776 HD22 ' HA ' ' A' ' 18' ' ' THR . 9.0 mt -65.72 -29.79 70.37 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.836 0.68 . . . . 1.2 112.836 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 p -72.66 -29.67 63.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.296 0.569 . . . . 1.68 109.68 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.66 -11.43 53.83 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.535 -0.757 . . . . 3.53 110.128 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -97.22 -15.83 20.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.754 -0.657 . . . . 3.36 110.836 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -60.41 112.0 1.79 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.635 -0.711 . . . . 3.45 111.419 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.96 27.28 16.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.057 -0.974 . . . . 3.42 110.622 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m 72.25 -46.05 0.63 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.446 0.698 . . . . 3.96 112.013 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.337 -0.839 . . . . 6.44 109.849 179.644 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.45 0 CA-C-O 121.342 0.591 . . . . 6.57 109.494 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 12' ' ' LEU . 18.0 mt -92.19 64.28 4.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.657 -0.701 . . . . 5.89 109.761 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.478 ' O ' ' HB2' ' A' ' 17' ' ' MET . 11.6 t30 -88.49 37.08 0.81 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.413 -0.812 . . . . 3.69 110.13 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -74.78 -59.2 2.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.932 -0.576 . . . . 2.92 111.708 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -62.96 -36.39 83.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.689 -0.232 . . . . 1.5 111.353 -179.413 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.46 ' HD3' ' OD1' ' A' ' 13' ' ' ASN . 2.8 ttp180 -64.34 -38.39 90.87 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.571 -0.529 . . . . 4.29 109.571 178.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.478 ' HB2' ' O ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -70.79 -33.05 70.34 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.82 -0.627 . . . . 3.42 110.087 178.479 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.702 ' HA ' HD21 ' A' ' 84' ' ' LEU . 25.6 m -63.61 -50.16 70.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.028 0.442 . . . . 0.97 110.194 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -65.12 -42.68 93.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.829 -0.623 . . . . 1.04 110.967 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.64 -37.05 79.39 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.619 -0.264 . . . . 2.35 111.587 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -66.64 -34.63 78.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.202 0.525 . . . . 4.27 109.626 178.795 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.665 ' HB3' HD22 ' A' ' 46' ' ' LEU . 1.7 mt -69.32 -38.26 78.15 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.469 -0.787 . . . . 1.11 109.631 178.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -65.21 -45.88 82.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.664 -0.698 . . . . 3.91 111.183 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -68.38 -34.97 77.0 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.182 -0.463 . . . . 2.36 109.755 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.857 HD12 ' HG1' ' A' ' 80' ' ' THR . 0.0 OUTLIER -70.2 -35.37 73.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 1.13 110.397 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.6 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 21.6 m -63.48 -36.26 83.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.13 0.49 . . . . 1.42 110.033 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mp -78.45 -33.85 48.14 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.913 -0.585 . . . . 1.25 110.463 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.435 ' O ' ' HB2' ' A' ' 32' ' ' ARG . 1.1 t-20 -71.3 -58.4 3.57 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.751 -0.659 . . . . 1.69 110.963 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.65 HD12 HD11 ' A' ' 25' ' ' LEU . 59.4 mt -63.46 -39.27 94.02 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.186 -0.461 . . . . 1.12 109.975 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.03 -52.13 55.2 Favored Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.119 -0.946 . . . . 0.65 111.812 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -71.63 -14.05 61.94 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.811 0.305 . . . . 1.94 111.208 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -88.33 -4.79 58.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.241 0.543 . . . . 4.39 110.343 179.434 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.52 165.18 12.29 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.694 -0.854 . . . . 2.38 108.694 178.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.2 t -133.98 112.92 12.49 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.983 -0.377 . . . . 2.36 109.983 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -74.24 155.84 99.82 Favored 'Cis proline' 0 C--N 1.346 0.399 0 C-N-CA 122.952 -1.687 . . . . 2.14 112.245 0.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.12 129.59 32.43 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.36 2.04 . . . . 1.42 112.319 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -88.14 120.47 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 115.758 -0.656 . . . . 2.02 110.832 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.59 -26.97 40.49 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 110.16 -1.176 . . . . 1.61 110.16 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -119.85 64.5 0.81 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.793 -0.703 . . . . 2.77 109.797 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.6 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 27.5 t80 -57.36 -49.99 74.39 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.525 -0.761 . . . . 0.52 110.087 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.712 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 37.1 tpp -141.53 127.42 11.07 Favored Pre-proline 0 N--CA 1.449 -0.501 0 N-CA-C 108.558 -0.904 . . . . 1.11 108.558 178.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -56.9 141.8 93.22 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.629 2.22 . . . . 0.37 112.63 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.546 ' HA ' HD13 ' A' ' 46' ' ' LEU . 1.4 t0 -50.18 -39.4 43.73 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.426 -0.806 . . . . 1.51 111.419 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.537 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -65.36 -46.88 78.43 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.425 -0.807 . . . . 0.97 110.797 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.486 ' O ' ' HB3' ' A' ' 49' ' ' MET . 1.1 mm -67.56 -35.45 73.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 1.16 111.098 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.665 HD22 ' HB3' ' A' ' 22' ' ' LEU . 29.0 mt -61.94 -34.44 76.11 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.702 -0.481 . . . . 1.05 109.702 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -73.82 -48.77 28.95 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.036 -0.529 . . . . 1.44 112.133 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 44' ' ' SER . 4.0 ptpt -66.24 -38.0 86.85 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.757 -0.377 . . . . 1.43 110.709 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.486 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -71.09 -29.08 64.84 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.237 -0.438 . . . . 1.07 110.695 179.866 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.542 ' HA ' HG21 ' A' ' 18' ' ' THR . . . -78.07 -28.98 48.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.804 0.335 . . . . 1.05 111.157 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.43 ' HA ' HD13 ' A' ' 15' ' ' LEU . . . -83.53 -35.67 24.62 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.436 0.532 . . . . 1.12 112.436 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.467 ' O ' HG22 ' A' ' 52' ' ' ILE . 1.5 mp -98.69 -34.03 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 122.381 -0.199 . . . . 1.11 111.455 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.576 ' HB3' ' HG ' ' A' ' 85' ' ' SER . 29.7 mt 54.46 71.52 1.32 Allowed Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.817 -0.629 . . . . 1.12 111.12 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.437 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 5.8 Cg_exo -78.24 110.97 2.97 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 123.262 2.641 . . . . 0.49 112.461 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.7 mtp -79.84 -27.36 40.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.336 -0.393 . . . . 1.97 110.849 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -126.92 166.73 16.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.157 -0.474 . . . . 3.03 110.321 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.575 ' HA ' ' HB2' ' A' ' 60' ' ' PHE . 31.9 t70 -64.67 -24.43 67.57 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.96 0.41 . . . . 2.68 111.632 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -36.98 80.63 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.126 0.489 . . . . 1.47 109.811 178.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' A' ' 54' ' ' PRO . . . -82.04 -28.57 32.39 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.519 0.676 . . . . 1.31 109.714 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.575 ' HB2' ' HA ' ' A' ' 57' ' ' ASP . 1.5 m-85 -62.15 -24.99 67.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.255 -0.884 . . . . 0.51 109.964 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.53 -24.92 64.08 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.654 -0.703 . . . . 1.31 111.263 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.7 8.57 40.43 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.054 0.39 . . . . 1.62 112.054 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.478 HD11 ' CD1' ' A' ' 60' ' ' PHE . 2.2 mt -88.65 17.65 5.31 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.031 0.443 . . . . 1.08 110.276 178.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.73 -104.74 3.21 Favored Glycine 0 N--CA 1.438 -1.227 0 N-CA-C 110.816 -0.914 . . . . 1.61 110.816 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.11 76.4 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.813 0.307 . . . . 2.96 111.824 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.2 m -80.61 127.39 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.134 -0.626 . . . . 1.27 109.841 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' HB2' ' HD2' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -73.75 162.23 29.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.812 -0.631 . . . . 2.42 109.818 -179.642 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.626 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 15.8 t70 -58.28 -34.08 70.13 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.885 -0.326 . . . . 1.72 110.27 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -28.52 70.05 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.868 0.365 . . . . 2.44 110.583 179.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.421 ' HD2' ' HB2' ' A' ' 67' ' ' GLU . 39.4 m-85 -78.44 -33.44 48.51 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 108.915 -0.772 . . . . 1.91 108.915 178.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.628 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 6.2 mtm-85 -68.48 -31.6 70.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.721 -1.127 . . . . 3.25 110.264 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 8.6 mmt180 -51.79 -63.86 1.0 Allowed 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.681 -0.691 . . . . 5.06 111.231 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -3.21 50.44 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.901 -0.32 . . . . 2.23 110.919 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.628 ' HB2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -60.22 -35.97 76.63 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.131 0.491 . . . . 0.39 110.144 179.35 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 5.1 ptmt -61.19 -24.97 66.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.265 -0.88 . . . . 2.23 111.328 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.35 -8.62 58.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.836 0.35 . . . . 1.46 110.649 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.712 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.2 OUTLIER -103.73 -13.66 16.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.92 -0.582 . . . . 0.34 110.371 179.166 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -53.7 -34.12 57.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.985 -0.552 . . . . 2.06 112.483 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.12 -32.88 74.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.135 0.493 . . . . 1.26 111.089 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.857 ' HG1' HD12 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -85.29 -43.06 14.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.757 -0.656 . . . . 1.26 111.223 179.852 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.593 ' O ' ' HB2' ' A' ' 85' ' ' SER . 34.1 mt -59.03 -47.34 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.539 -0.301 . . . . 1.12 110.244 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.53 -44.87 89.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.08 -0.509 . . . . 1.26 111.22 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.81 -55.55 31.72 Favored 'General case' 0 CA--C 1.518 -0.258 0 O-C-N 123.569 0.543 . . . . 1.4 110.846 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.702 HD21 ' HA ' ' A' ' 18' ' ' THR . 11.0 mt -63.22 -27.85 69.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.615 -0.266 . . . . 1.2 111.459 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.593 ' HB2' ' O ' ' A' ' 81' ' ' ILE . 0.3 OUTLIER -71.41 -26.71 62.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.744 -0.465 . . . . 1.68 109.744 178.562 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -4.87 59.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.18 0.514 . . . . 3.53 110.037 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -106.27 -33.83 7.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.383 -0.826 . . . . 3.36 110.609 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.413 ' HE ' ' HB3' ' A' ' 88' ' ' ARG . 0.4 OUTLIER -69.8 -1.13 8.44 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.502 0.556 . . . . 3.45 112.502 -178.779 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.02 -36.33 83.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 3.42 110.316 179.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.4 p -146.7 -75.72 0.2 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.798 0.332 . . . . 3.96 110.379 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.012 -0.994 . . . . 6.44 109.435 179.57 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.706 0.765 . . . . 6.57 110.242 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mt -71.33 -35.05 71.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.932 -1.031 . . . . 5.89 111.209 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -88.35 37.73 0.83 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.099 0.476 . . . . 3.69 110.999 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -64.32 -26.87 68.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.232 0.539 . . . . 2.92 110.408 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.689 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -61.64 -28.25 69.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.226 -0.897 . . . . 1.5 111.599 179.766 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -35.08 79.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.882 0.373 . . . . 4.29 110.744 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.8 ttt -68.67 -36.18 78.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.638 -0.71 . . . . 3.42 109.86 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.616 HG22 ' HB3' ' A' ' 84' ' ' LEU . 2.6 m -61.05 -45.93 92.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.77 -0.65 . . . . 0.97 109.519 178.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.427 ' HH ' HH11 ' A' ' 23' ' ' ARG . 64.3 t80 -63.5 -38.76 92.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.546 -0.752 . . . . 1.04 110.457 178.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.33 -48.29 78.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.186 -0.461 . . . . 2.35 111.355 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.542 ' HB3' HD12 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -60.04 -32.16 70.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.104 0.478 . . . . 4.27 110.218 179.577 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.723 ' HB3' HD22 ' A' ' 46' ' ' LEU . 5.1 mt -76.15 -39.81 54.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.913 -0.585 . . . . 1.11 110.719 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.427 HH11 ' HH ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -69.16 -37.98 78.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.367 . . . . 3.91 110.77 -179.245 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.21 -36.23 69.11 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.416 0.627 . . . . 2.36 110.363 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.532 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -74.88 -37.74 62.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.779 -0.646 . . . . 1.13 109.936 -179.657 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.765 ' HG ' ' HZ ' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -64.0 -36.68 84.76 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.051 -0.522 . . . . 1.42 111.058 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mp -75.56 -30.31 59.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.358 0.599 . . . . 1.25 109.639 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -72.27 -65.6 0.76 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.44 -0.8 . . . . 1.69 111.634 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.442 HD13 ' HB3' ' A' ' 76' ' ' TYR . 9.2 mt -62.08 -37.1 83.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.076 -0.511 . . . . 1.12 111.591 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.424 ' HA2' HG23 ' A' ' 37' ' ' VAL . . . -63.14 -37.52 95.05 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.958 -0.639 . . . . 0.65 113.494 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -95.07 -13.88 24.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 117.082 0.441 . . . . 1.94 111.762 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.618 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -88.7 -9.0 53.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.906 0.86 . . . . 4.39 109.379 179.226 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.4 ' O ' ' HA ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -93.21 133.3 36.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.202 -0.908 . . . . 2.38 108.712 177.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.5 t -122.27 121.52 27.78 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.632 -0.507 . . . . 2.36 109.632 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.5 148.89 89.39 Favored 'Cis proline' 0 C--N 1.345 0.37 0 C-N-CA 123.746 -1.356 . . . . 2.14 112.335 0.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.4 ' HA ' ' O ' ' A' ' 33' ' ' MET . 77.2 Cg_exo -54.63 139.42 76.28 Favored 'Trans proline' 0 CA--C 1.516 -0.385 0 C-N-CA 122.731 2.287 . . . . 1.42 112.661 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.424 HG23 ' HA2' ' A' ' 30' ' ' GLY . 1.8 t -71.19 -28.84 33.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.229 -0.896 . . . . 2.02 111.117 -179.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.99 -55.97 4.81 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.77 -0.932 . . . . 1.61 110.77 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.31 82.25 2.0 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.381 -0.6 . . . . 2.77 109.381 178.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.695 ' HZ ' ' HB2' ' A' ' 76' ' ' TYR . 26.5 t80 -52.83 -43.25 65.87 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.574 -0.739 . . . . 0.52 110.668 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.549 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 6.7 tpp -148.65 117.56 4.01 Favored Pre-proline 0 N--CA 1.44 -0.967 0 N-CA-C 108.096 -1.076 . . . . 1.11 108.096 177.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -57.18 144.19 91.2 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.965 2.443 . . . . 0.37 111.683 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.443 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.8 t70 -49.58 -41.11 40.89 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.319 0.648 . . . . 1.51 111.681 -179.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.586 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 15.7 m -62.99 -42.46 99.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.546 -0.297 . . . . 0.97 111.352 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.465 ' O ' ' HB3' ' A' ' 49' ' ' MET . 2.5 mm -71.35 -35.1 56.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 1.16 110.047 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.723 HD22 ' HB3' ' A' ' 22' ' ' LEU . 83.1 mt -61.72 -36.5 81.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.996 -0.547 . . . . 1.05 109.925 178.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -71.82 -45.17 62.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 1.44 112.124 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 44' ' ' SER . 4.4 ptpt -71.22 -39.22 71.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.962 0.411 . . . . 1.43 111.12 -179.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.506 ' HE2' ' HE1' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -68.65 -30.75 69.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.241 -0.436 . . . . 1.07 110.361 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.09 -30.19 49.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 1.05 110.928 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.689 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -83.83 -40.28 18.89 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.189 -0.459 . . . . 1.12 111.908 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.564 HG21 ' HG3' ' A' ' 54' ' ' PRO . 1.9 mp -88.29 -37.15 10.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 C-N-CA 120.352 -0.539 . . . . 1.11 111.101 -178.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.64 HD11 ' HD3' ' A' ' 88' ' ' ARG . 22.8 mt 50.57 70.83 1.78 Allowed Pre-proline 0 C--O 1.236 0.352 0 CA-C-O 121.218 0.532 . . . . 1.12 110.334 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.564 ' HG3' HG21 ' A' ' 52' ' ' ILE . 5.8 Cg_exo -78.99 124.46 6.12 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 123.01 2.473 . . . . 0.49 113.006 -178.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -45.6 69.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.629 -0.714 . . . . 1.97 111.147 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.55 -172.99 3.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.22 -0.446 . . . . 3.03 110.509 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.609 ' HA ' ' HB2' ' A' ' 60' ' ' PHE . 17.2 t70 -56.31 -31.08 63.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.995 -0.548 . . . . 2.68 112.455 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -51.54 59.85 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.041 0.448 . . . . 1.47 111.261 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.04 -30.2 39.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.209 -0.45 . . . . 1.31 110.954 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.609 ' HB2' ' HA ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -53.53 -24.46 13.49 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.095 -0.502 . . . . 0.51 112.351 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.82 -25.12 64.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.525 -0.307 . . . . 1.31 111.683 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.3 p -79.19 -1.87 38.33 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.951 0.352 . . . . 1.62 111.951 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mt -82.48 -8.21 59.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.899 0.38 . . . . 1.08 110.419 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.23 45.4 3.04 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.383 -0.913 . . . . 1.61 112.38 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 51.09 79.65 0.09 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.285 0.634 . . . . 2.96 112.259 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.8 m -70.91 148.37 10.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.054 -0.521 . . . . 1.27 110.492 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.52 ' HB3' ' HG2' ' A' ' 69' ' ' LYS . 4.9 mt-10 -71.85 152.68 42.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.135 -0.484 . . . . 2.42 110.529 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.579 ' HA ' ' HB2' ' A' ' 71' ' ' ARG . 27.7 t70 -59.34 -34.07 71.91 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.24 -0.436 . . . . 1.72 110.478 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.52 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -62.37 -29.16 70.27 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.918 0.39 . . . . 2.44 110.817 178.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.439 ' HD2' ' HB2' ' A' ' 67' ' ' GLU . 73.9 m-85 -88.86 -33.32 17.39 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 108.942 -0.762 . . . . 1.91 108.942 178.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.642 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -63.53 -36.94 85.45 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.539 -1.21 . . . . 3.25 111.522 179.7 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.885 HH22 ' HH ' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -74.29 -40.51 62.22 Favored 'General case' 0 N--CA 1.421 -1.909 0 N-CA-C 112.087 0.403 . . . . 5.06 112.087 -178.721 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.458 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -84.06 -1.79 55.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.592 0.711 . . . . 2.23 109.815 -179.654 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.642 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -60.81 -35.58 76.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.854 -1.066 . . . . 0.39 111.123 178.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -23.16 17.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.531 -0.759 . . . . 2.23 113.04 -179.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.885 ' HH ' HH22 ' A' ' 72' ' ' ARG . 63.4 m-85 -74.26 -9.44 58.61 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.777 0.322 . . . . 1.46 110.765 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.765 ' HZ ' ' HG ' ' A' ' 26' ' ' SER . 3.5 m-85 -112.01 -11.57 13.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.208 -0.451 . . . . 0.34 110.492 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.38 -36.79 10.14 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.061 1.134 . . . . 2.06 114.061 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.71 -34.35 52.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.162 0.506 . . . . 1.26 110.819 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.495 ' CG2' ' HG2' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -73.14 -46.09 53.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.47 -0.786 . . . . 1.26 111.322 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 77' ' ' PHE . 24.5 mt -59.57 -34.74 55.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.308 -0.405 . . . . 1.12 110.256 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.61 -37.1 60.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 1.26 111.617 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.05 -40.48 75.07 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.943 0.401 . . . . 1.4 110.743 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.616 ' HB3' HG22 ' A' ' 18' ' ' THR . 13.0 mt -76.26 -30.09 57.71 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.899 0.703 . . . . 1.2 112.899 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.7 p -71.66 -27.17 62.88 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.915 -0.491 . . . . 1.68 111.474 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.85 -23.17 24.07 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.123 0.416 . . . . 3.53 112.123 -178.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.669 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -107.24 -19.09 13.7 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.457 0.91 . . . . 3.36 113.457 -177.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.64 ' HD3' HD11 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.83 -15.74 63.15 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.194 0.521 . . . . 3.45 109.938 179.32 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.17 4.83 11.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.204 -0.907 . . . . 3.42 110.191 179.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m 62.56 31.76 16.78 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.677 -0.692 . . . . 3.96 111.14 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.984 0 CA-C-O 117.881 -1.057 . . . . 6.44 109.4 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 121.572 0.701 . . . . 6.57 109.565 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mt -73.3 166.1 23.81 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.029 -0.987 . . . . 5.89 110.16 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.7 91.64 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.194 0.521 . . . . 3.69 112.136 -178.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -69.65 -34.47 74.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.567 -0.742 . . . . 2.92 110.207 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -35.59 76.75 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.5 -0.556 . . . . 1.5 109.5 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -38.14 78.53 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.017 -0.735 . . . . 4.29 109.017 178.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.425 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 1.7 ttt -62.01 -44.45 96.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.447 -0.797 . . . . 3.42 109.824 178.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.642 ' HA ' HD22 ' A' ' 84' ' ' LEU . 22.6 m -65.94 -44.92 83.64 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.022 -0.535 . . . . 0.97 111.103 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.46 ' CE1' ' HG3' ' A' ' 47' ' ' LYS . 9.0 t80 -65.68 -41.18 92.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.461 -0.791 . . . . 1.04 111.207 -179.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.478 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 4.5 mm-40 -75.65 -31.04 59.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.405 -0.361 . . . . 2.35 111.577 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 17' ' ' MET . 0.1 OUTLIER -68.83 -32.34 71.97 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.247 -0.649 . . . . 4.27 109.247 178.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.817 ' HB3' HD22 ' A' ' 46' ' ' LEU . 2.2 mt -73.64 -34.5 65.0 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.584 -0.735 . . . . 1.11 109.917 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 23' ' ' ARG . 1.3 ttp180 -69.11 -41.78 76.95 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.27 -0.877 . . . . 3.91 110.362 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -68.2 -38.37 81.9 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.474 0.654 . . . . 2.36 110.132 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.577 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -68.03 -34.92 77.39 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.394 -0.821 . . . . 1.13 109.457 178.724 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.61 ' HG ' ' HZ ' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -67.95 -35.39 78.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.618 -0.719 . . . . 1.42 111.414 179.879 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.25 -31.59 69.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.314 -0.403 . . . . 1.25 111.106 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.22 -54.45 4.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 1.69 111.865 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.447 HD11 HD12 ' A' ' 25' ' ' LEU . 28.1 mt -58.27 -37.63 75.36 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.465 0.543 . . . . 1.12 112.465 -179.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.4 -34.12 73.75 Favored Glycine 0 C--O 1.23 -0.143 0 C-N-CA 120.869 -0.682 . . . . 0.65 112.546 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -89.53 -14.69 34.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.432 0.634 . . . . 1.94 110.327 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.509 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -91.32 -4.22 56.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.737 -0.665 . . . . 4.39 110.946 -179.675 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -53.67 23.98 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.122 -0.49 . . . . 2.38 111.109 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 23.8 t 59.76 100.88 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.615 0 O-C-N 123.818 0.699 . . . . 2.36 111.408 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -67.63 145.95 75.61 Favored 'Cis proline' 0 C--N 1.348 0.509 0 C-N-CA 123.229 -1.571 . . . . 2.14 112.446 0.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.9 132.01 47.4 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.07 2.513 . . . . 1.42 112.029 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.8 t -73.98 -26.67 21.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.975 -0.557 . . . . 2.02 111.042 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.63 -53.14 4.69 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.38 -1.088 . . . . 1.61 110.38 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -133.41 87.79 2.42 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.609 -0.886 . . . . 2.77 108.609 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.557 ' HZ ' ' HB2' ' A' ' 76' ' ' TYR . 8.3 t80 -50.38 -78.79 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 O-C-N 124.168 0.917 . . . . 0.52 109.649 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.816 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 7.1 tpp -116.98 127.97 26.35 Favored Pre-proline 0 C--N 1.319 -0.753 0 N-CA-C 108.875 -0.787 . . . . 1.11 108.875 177.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 41' ' ' MET . 24.5 Cg_exo -64.15 150.06 89.1 Favored 'Trans proline' 0 C--O 1.238 0.492 0 C-N-CA 122.204 1.936 . . . . 0.37 111.573 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.421 ' HA ' HD13 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -51.28 -36.27 41.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.044 0.84 . . . . 1.51 111.495 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.448 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -62.32 -53.5 54.12 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.747 -0.66 . . . . 0.97 111.677 -179.891 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.46 ' O ' ' HB3' ' A' ' 49' ' ' MET . 40.4 mm -64.73 -35.58 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 1.16 111.165 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.817 HD22 ' HB3' ' A' ' 22' ' ' LEU . 70.3 mt -61.47 -35.99 79.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.198 -0.455 . . . . 1.05 111.002 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.46 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 18.7 mttt -70.42 -51.65 27.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.316 0.487 . . . . 1.44 112.316 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.478 ' O ' HD12 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -67.59 -38.53 84.16 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.872 0.323 . . . . 1.43 111.872 -178.724 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.546 ' SD ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -69.86 -30.15 67.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.425 -0.352 . . . . 1.07 110.373 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.578 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -72.67 -31.62 65.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.606 -0.27 . . . . 1.05 111.397 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.22 -45.44 15.05 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.168 0.433 . . . . 1.12 112.168 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.478 HD12 ' O ' ' A' ' 48' ' ' LYS . 1.6 mp -82.05 -38.23 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 111.765 0.283 . . . . 1.11 111.765 -178.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 53' ' ' LEU . 4.8 mt 54.75 69.49 2.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 O-C-N 123.803 0.689 . . . . 1.12 110.457 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.441 ' HG2' ' CE1' ' A' ' 60' ' ' PHE . 24.7 Cg_exo -61.49 109.8 0.81 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.545 2.164 . . . . 0.49 111.877 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -15.34 60.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.932 -0.576 . . . . 1.97 110.931 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -143.67 162.98 34.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 3.03 110.553 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.919 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 0.1 OUTLIER -67.99 -14.57 63.07 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.986 0.422 . . . . 2.68 111.066 -179.511 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -44.52 60.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.141 0.496 . . . . 1.47 110.483 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.84 -27.11 68.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.62 0.724 . . . . 1.31 110.639 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.919 ' HD2' ' HA ' ' A' ' 57' ' ' ASP . 2.9 m-85 -53.6 -25.98 19.87 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.968 -1.014 . . . . 0.51 113.0 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.45 -26.14 66.52 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.034 0.383 . . . . 1.31 112.034 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.6 -2.2 57.91 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 122.059 -0.401 . . . . 1.62 111.841 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.492 HD13 ' CD1' ' A' ' 60' ' ' PHE . 4.8 mt -72.25 -25.27 61.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.434 0.635 . . . . 1.08 109.516 178.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.7 -113.22 1.73 Allowed Glycine 0 N--CA 1.439 -1.166 0 N-CA-C 111.128 -0.789 . . . . 1.61 111.128 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.39 72.43 1.5 Allowed 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 120.545 0.212 . . . . 2.96 110.636 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.27 129.07 35.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 N-CA-C 109.901 -0.407 . . . . 1.27 109.901 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.44 150.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.897 -0.592 . . . . 2.42 111.651 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.07 -39.69 79.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.407 0.622 . . . . 1.72 109.568 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.458 ' O ' ' HD2' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -71.88 -26.5 62.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.088 -0.96 . . . . 2.44 110.518 179.173 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.492 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . 14.1 m-30 -73.68 -39.21 64.58 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.057 -0.72 . . . . 1.91 109.057 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.761 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -69.35 -34.26 74.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.925 -0.768 . . . . 3.25 108.925 177.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.465 ' O ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -64.1 -49.55 71.81 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.479 -0.782 . . . . 5.06 111.082 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.492 ' CD ' ' HA ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -83.15 -4.32 58.26 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.592 -0.443 . . . . 2.23 110.912 179.879 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.761 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -53.57 -31.15 45.49 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.201 -0.454 . . . . 0.39 110.151 178.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.465 ' HD3' ' O ' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -57.06 -24.32 53.04 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.9 -0.591 . . . . 2.23 111.931 179.619 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.557 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 75.9 m-85 -81.33 -10.21 59.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.17 0.509 . . . . 1.46 110.306 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.816 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.2 OUTLIER -106.69 -16.76 14.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.193 -0.912 . . . . 0.34 109.889 179.027 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -30.75 64.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.987 -0.552 . . . . 2.06 111.428 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.62 -31.28 66.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.995 0.426 . . . . 1.26 110.686 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.534 ' HG1' HD11 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -83.92 -44.33 14.35 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.716 -0.674 . . . . 1.26 111.497 -179.774 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 77' ' ' PHE . 51.4 mt -59.16 -34.72 54.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.424 -0.353 . . . . 1.12 110.559 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.21 -26.99 47.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.916 0.389 . . . . 1.26 111.431 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -82.59 -42.23 18.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.509 -0.314 . . . . 1.4 111.417 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.642 HD22 ' HA ' ' A' ' 18' ' ' THR . 6.3 mt -64.27 -28.56 69.81 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.876 0.324 . . . . 1.2 111.876 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.25 -30.05 64.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.267 0.556 . . . . 1.68 110.468 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm -80.96 -32.14 34.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.821 -0.627 . . . . 3.53 109.73 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -81.36 -12.64 58.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.666 -0.697 . . . . 3.36 110.624 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.84 -22.1 64.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.787 -0.642 . . . . 3.45 111.154 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.97 52.84 1.1 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.338 -0.392 . . . . 3.42 111.756 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 52.82 40.68 31.08 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.123 0.569 . . . . 3.96 112.284 178.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.297 -0.859 . . . . 6.44 110.212 179.556 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.727 ' HA ' ' HG2' ' A' ' 91' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--O 1.235 0.301 0 CA-C-O 121.189 0.519 . . . . 6.57 110.048 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -117.52 -2.99 11.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.749 -0.66 . . . . 5.89 111.096 -178.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -76.63 -48.65 18.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.96 -0.756 . . . . 3.69 108.96 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.552 ' HB3' ' HG2' ' A' ' 88' ' ' ARG . 2.9 t-20 -74.94 -21.11 59.38 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.123 -0.695 . . . . 2.92 109.123 178.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 51' ' ' ALA . 1.6 tt -62.82 -33.2 74.72 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 115.648 -0.706 . . . . 1.5 109.327 178.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -38.04 86.59 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.422 -0.955 . . . . 4.29 108.422 178.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -36.72 80.56 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.697 -0.683 . . . . 3.42 110.022 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.55 HG21 HD12 ' A' ' 84' ' ' LEU . 7.6 m -58.84 -52.82 64.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.457 0.646 . . . . 0.97 109.307 178.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.41 ' CE1' ' HG3' ' A' ' 47' ' ' LYS . 73.1 t80 -63.43 -39.92 95.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.084 -0.962 . . . . 1.04 110.635 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.5 -47.1 85.45 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.775 -0.648 . . . . 2.35 111.014 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -64.08 -32.96 74.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.993 0.425 . . . . 4.27 110.922 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.489 ' HB3' HD22 ' A' ' 46' ' ' LEU . 4.4 mt -66.91 -36.47 82.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.118 -0.492 . . . . 1.11 110.098 179.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.39 -38.63 55.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.119 0.485 . . . . 3.91 110.343 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -64.51 -35.05 79.71 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.229 -0.656 . . . . 2.36 109.229 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.501 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -76.55 -35.63 58.13 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.191 -0.913 . . . . 1.13 109.343 179.035 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.68 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 1.5 t -63.77 -36.82 85.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 1.42 111.158 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 mp -80.85 -33.08 34.78 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.452 -0.499 . . . . 1.25 110.788 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -71.75 -52.01 19.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.883 0.373 . . . . 1.69 110.454 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.493 HD12 ' CE2' ' A' ' 40' ' ' PHE . 46.5 mt -65.33 -40.11 93.27 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.945 -0.57 . . . . 1.12 109.881 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.511 ' O ' ' HA ' ' A' ' 36' ' ' PRO . . . -60.78 -43.54 99.05 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.708 -0.758 . . . . 0.65 112.474 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.5 ' HA ' ' HB3' ' A' ' 36' ' ' PRO . 44.5 t30 -72.02 -16.46 62.06 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.374 0.606 . . . . 1.94 110.861 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -87.68 -4.97 58.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.902 0.858 . . . . 4.39 109.545 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 6.2 mtt -104.8 159.82 15.48 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.065 -0.971 . . . . 2.38 109.817 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.3 t -125.75 118.44 24.29 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 110.071 -0.344 . . . . 2.36 110.071 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.46 152.72 90.86 Favored 'Cis proline' 0 C--O 1.237 0.455 0 C-N-CA 123.159 -1.6 . . . . 2.14 112.471 0.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.511 ' HA ' ' O ' ' A' ' 30' ' ' GLY . 53.3 Cg_exo -51.04 127.35 21.45 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.484 2.123 . . . . 1.42 112.082 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.07 102.85 14.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.388 -0.823 . . . . 2.02 111.732 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.31 -32.26 75.57 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 110.497 -1.041 . . . . 1.61 110.497 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -105.87 66.19 0.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 107.865 -1.161 . . . . 2.77 107.865 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.68 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 27.0 t80 -61.11 -42.56 98.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.762 -1.108 . . . . 0.52 109.729 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.615 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 5.9 tpp -132.57 131.89 22.43 Favored Pre-proline 0 C--N 1.317 -0.818 0 N-CA-C 108.005 -1.109 . . . . 1.11 108.005 177.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.748 ' HG2' ' HE2' ' A' ' 70' ' ' TYR . 72.1 Cg_exo -54.01 140.52 69.59 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.826 2.351 . . . . 0.37 112.923 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -51.66 -43.67 62.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.955 -1.02 . . . . 1.51 111.572 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.411 ' O ' ' HE2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -65.0 -48.12 75.06 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.674 -0.694 . . . . 0.97 111.364 -179.607 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.8 mm -63.35 -36.7 77.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.383 -0.371 . . . . 1.16 111.001 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 22' ' ' LEU . 48.1 mt -63.83 -38.6 91.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.913 0.387 . . . . 1.05 111.101 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.41 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 20.0 mttt -67.28 -46.41 73.71 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.974 0.731 . . . . 1.44 112.974 -178.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HE2' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -69.97 -39.72 75.82 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.625 -0.43 . . . . 1.43 111.384 -179.328 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.549 ' HA ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -66.09 -32.02 73.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.843 -0.617 . . . . 1.07 110.54 -179.658 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.44 -28.35 52.44 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.239 0.542 . . . . 1.05 110.777 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.648 ' HA ' HD12 ' A' ' 15' ' ' LEU . . . -77.92 -36.78 49.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.208 0.447 . . . . 1.12 112.208 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 52' ' ' ILE . 1.1 mp -97.8 -34.57 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 111.774 0.287 . . . . 1.11 111.774 -178.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.503 HD11 ' HA ' ' A' ' 85' ' ' SER . 18.4 mt 59.02 75.75 0.49 Allowed Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.563 -0.744 . . . . 1.12 111.14 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -76.67 106.26 2.22 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.981 2.454 . . . . 0.49 112.462 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.472 ' HG2' ' HA ' ' A' ' 82' ' ' ALA . 1.6 mtp -84.35 -11.77 55.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.237 0.541 . . . . 1.97 110.212 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -126.59 155.24 42.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.756 -0.656 . . . . 3.03 110.524 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 60' ' ' PHE . 0.2 OUTLIER -68.04 -27.64 66.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.726 -0.67 . . . . 2.68 111.43 -179.639 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.3 -30.64 70.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.253 0.549 . . . . 1.47 110.348 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.73 -26.31 60.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.791 -0.641 . . . . 1.31 110.261 179.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.736 ' HE2' ' HE3' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -60.18 -27.32 67.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.466 -0.788 . . . . 0.51 112.122 -179.497 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.6 -26.06 66.07 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.01 0.374 . . . . 1.31 112.01 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -7.31 59.64 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.193 0.442 . . . . 1.62 112.193 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.549 HD23 ' HA ' ' A' ' 49' ' ' MET . 12.8 mt -65.83 -36.17 82.74 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 108.66 -0.867 . . . . 1.08 108.66 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.12 44.15 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.831 0 CA-C-N 114.572 -1.195 . . . . 1.61 110.751 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 48.56 77.78 0.09 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.772 0.829 . . . . 2.96 112.061 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.8 m -72.01 139.95 18.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.815 -0.63 . . . . 1.27 110.653 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.594 ' HB3' ' HD3' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -67.0 157.18 34.08 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.903 -0.406 . . . . 2.42 109.903 179.748 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.98 -35.93 76.06 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.138 -0.225 . . . . 1.72 111.076 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.594 ' HD3' ' HB3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -65.21 -25.99 67.94 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.923 0.392 . . . . 2.44 111.002 179.709 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.748 ' HE2' ' HG2' ' A' ' 42' ' ' PRO . 40.3 m-85 -76.48 -33.01 58.69 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.083 -0.71 . . . . 1.91 109.083 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.712 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 5.1 mtm105 -67.31 -31.14 71.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.137 -0.938 . . . . 3.25 109.769 178.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.634 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 7.5 mmm180 -50.44 -56.37 11.77 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.297 -0.865 . . . . 5.06 112.137 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.551 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -88.54 -3.27 58.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.197 0.523 . . . . 2.23 109.9 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.712 ' HB2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -63.42 -35.28 79.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.812 -0.631 . . . . 0.39 109.724 178.828 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.634 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 18.1 ptpt -61.08 -24.88 66.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.192 -0.913 . . . . 2.23 111.937 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.551 ' CD2' ' HA ' ' A' ' 73' ' ' ARG . 65.5 m-85 -78.21 -9.31 59.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 1.46 110.564 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.615 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 5.2 m-85 -108.24 -16.96 14.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.201 -0.454 . . . . 0.34 110.557 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.736 ' HE3' ' HE2' ' A' ' 60' ' ' PHE . 0.1 OUTLIER -49.54 -34.65 18.0 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.819 1.044 . . . . 2.06 113.819 -177.592 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.93 -36.47 69.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.914 -0.492 . . . . 1.26 111.198 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.39 -43.31 33.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.852 -0.613 . . . . 1.26 111.776 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 77' ' ' PHE . 19.6 mt -59.88 -34.06 54.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 1.12 110.377 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.472 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -75.43 -27.18 58.86 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.067 0.46 . . . . 1.26 110.956 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -82.59 -46.97 12.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 1.4 111.331 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.55 HD12 HG21 ' A' ' 18' ' ' THR . 11.8 mt -62.01 -28.51 69.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.076 -0.511 . . . . 1.2 112.031 -179.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.503 ' HA ' HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -69.67 -27.56 65.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.826 0.346 . . . . 1.68 111.433 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.4 -3.44 56.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.891 0.377 . . . . 3.53 111.03 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -110.19 -30.59 7.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.1 -0.5 . . . . 3.36 110.675 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.552 ' HG2' ' HB3' ' A' ' 14' ' ' ASN . 1.3 ttp180 -83.39 -1.74 54.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 3.45 111.391 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -34.44 61.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.247 0.546 . . . . 3.42 109.557 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.8 104.14 15.81 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.266 -0.879 . . . . 3.96 110.91 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.727 ' HG2' ' HA ' ' A' ' 11' ' ' GLU . 7.4 tp10 . . . . . 0 C--O 1.25 1.085 0 CA-C-N 115.855 -0.611 . . . . 6.44 109.561 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 CA--C 1.535 0.367 0 N-CA-C 112.355 0.502 . . . . 6.57 112.355 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.71 -41.62 83.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.275 0.559 . . . . 5.89 111.113 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.9 34.99 1.29 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.327 -0.397 . . . . 3.69 111.215 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -68.13 -45.95 72.22 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.514 0.19 . . . . 2.92 111.514 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -33.36 72.95 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.352 -0.539 . . . . 1.5 110.858 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -35.27 79.21 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.917 -0.772 . . . . 4.29 108.917 178.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -43.23 94.09 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 115.551 -0.75 . . . . 3.42 109.091 177.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.578 ' HA ' HD23 ' A' ' 84' ' ' LEU . 57.4 m -60.3 -44.36 95.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.777 -0.647 . . . . 0.97 110.252 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.414 ' HH ' HH11 ' A' ' 23' ' ' ARG . 46.8 t80 -65.05 -44.47 88.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.985 -0.552 . . . . 1.04 110.918 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -67.99 -35.97 79.23 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.062 -0.255 . . . . 2.35 111.335 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -32.73 74.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.184 0.516 . . . . 4.27 110.072 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.725 ' HB3' HD21 ' A' ' 46' ' ' LEU . 7.9 mt -75.25 -32.39 61.07 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.322 -0.622 . . . . 1.11 109.322 177.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 23' ' ' ARG . 13.8 ttt180 -70.31 -40.9 73.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.907 -0.588 . . . . 3.91 109.835 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.79 -36.38 80.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 2.36 110.351 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.653 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -74.57 -33.61 62.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.472 -0.786 . . . . 1.13 110.199 179.517 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.717 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -63.45 -37.05 85.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.748 -0.66 . . . . 1.42 110.836 179.671 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.14 -32.37 56.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.518 0.675 . . . . 1.25 109.713 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -67.96 -56.87 7.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.319 -0.855 . . . . 1.69 111.303 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.673 HD11 ' CE2' ' A' ' 40' ' ' PHE . 58.6 mt -68.04 -32.58 73.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 1.12 110.745 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.17 -36.33 92.21 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.623 -0.799 . . . . 0.65 112.097 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -15.19 37.43 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.07 0.462 . . . . 1.94 111.021 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -92.67 -2.95 55.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.598 0.713 . . . . 4.39 109.85 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.61 152.91 18.02 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.444 -0.798 . . . . 2.38 109.136 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.425 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 1.6 t -120.8 114.82 32.38 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 116.109 -0.496 . . . . 2.36 110.234 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 60.8 Cg_endo -85.1 162.49 63.32 Favored 'Cis proline' 0 N--CA 1.458 -0.575 0 C-N-CA 123.171 -1.596 . . . . 2.14 111.954 0.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.42 120.76 6.75 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.754 2.303 . . . . 1.42 112.809 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -75.97 -37.12 33.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.576 -1.193 . . . . 2.02 111.492 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.64 -73.0 2.13 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.349 -1.1 . . . . 1.61 110.349 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -95.43 71.56 3.18 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.716 -0.846 . . . . 2.77 108.716 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.717 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 13.2 t80 -48.48 -77.36 0.02 OUTLIER 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.025 -0.989 . . . . 0.52 110.453 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.73 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 35.2 tpp -107.71 125.07 33.07 Favored Pre-proline 0 N--CA 1.441 -0.907 0 N-CA-C 108.995 -0.742 . . . . 1.11 108.995 178.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -53.03 145.97 39.62 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 123.071 2.514 . . . . 0.37 112.41 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.82 -44.39 66.65 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.794 -0.639 . . . . 1.51 111.425 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -61.68 -40.43 94.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.852 -0.613 . . . . 0.97 111.04 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.476 ' O ' ' HB3' ' A' ' 49' ' ' MET . 7.3 mm -71.32 -37.22 64.61 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-N 116.211 -0.449 . . . . 1.16 110.777 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.725 HD21 ' HB3' ' A' ' 22' ' ' LEU . 84.1 mt -61.51 -36.55 80.85 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.959 -0.386 . . . . 1.05 109.959 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 mttp -69.68 -50.14 46.75 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.298 0.481 . . . . 1.44 112.298 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -66.44 -39.48 88.92 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 120.67 -0.412 . . . . 1.43 110.91 -179.201 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.519 ' HE3' ' HE1' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -69.2 -29.93 68.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.249 -0.432 . . . . 1.07 110.444 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -80.31 -31.59 38.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 1.05 111.202 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.77 -40.12 34.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.574 -0.284 . . . . 1.12 111.335 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -88.8 -35.6 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.458 -0.337 . . . . 1.11 110.992 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.664 HD22 HG22 ' A' ' 81' ' ' ILE . 15.1 mt 52.89 70.2 1.96 Allowed Pre-proline 0 C--N 1.327 -0.398 0 O-C-N 123.971 0.794 . . . . 1.12 109.883 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.757 ' HB3' ' HB2' ' A' ' 59' ' ' ALA . 3.0 Cg_exo -73.21 108.54 2.63 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 123.328 2.686 . . . . 0.49 112.475 -178.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -21.38 42.82 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.913 -0.585 . . . . 1.97 110.467 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -116.99 173.67 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.283 -0.417 . . . . 3.03 110.655 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.06 -13.65 52.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.038 0.447 . . . . 2.68 111.149 -179.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -46.54 56.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.061 0.458 . . . . 1.47 110.447 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.757 ' HB2' ' HB3' ' A' ' 54' ' ' PRO . . . -63.19 -23.97 67.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.224 0.535 . . . . 1.31 110.302 178.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.498 ' HD1' ' HA ' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -62.46 -26.57 68.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.638 -0.71 . . . . 0.51 111.859 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.22 -25.4 68.05 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.872 0.323 . . . . 1.31 111.872 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.04 1.42 35.84 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.008 0.374 . . . . 1.62 112.008 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.5 mt -80.58 -31.94 36.65 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 107.795 -1.187 . . . . 1.08 107.795 177.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.26 -64.7 3.72 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 115.167 -0.924 . . . . 1.61 115.1 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.11 33.12 0.49 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 115.222 1.564 . . . . 2.96 115.222 -176.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.415 HG13 HD12 ' A' ' 45' ' ' ILE . 33.7 m -118.47 102.35 13.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.888 0.851 . . . . 1.27 109.342 176.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -77.48 -177.37 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.261 -0.881 . . . . 2.42 110.44 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -54.87 -40.25 69.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.212 -0.449 . . . . 1.72 111.365 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -31.18 67.71 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.274 -0.421 . . . . 2.44 111.336 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -76.24 -37.6 57.45 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.42 -0.585 . . . . 1.91 109.42 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.841 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 16.3 mmm-85 -69.21 -33.84 73.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.54 -0.755 . . . . 3.25 110.501 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.461 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -65.51 -61.94 1.81 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.734 -0.666 . . . . 5.06 112.356 -179.167 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -4.45 6.76 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.21 0.529 . . . . 2.23 111.127 -179.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.841 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -57.77 -29.15 64.6 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.872 -0.603 . . . . 0.39 110.054 178.027 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 2.0 pttt -52.67 -25.0 9.6 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.215 -0.902 . . . . 2.23 112.345 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.531 ' HB3' HD12 ' A' ' 29' ' ' LEU . 74.8 m-85 -82.68 -8.23 59.61 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 120.951 0.405 . . . . 1.46 111.266 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.73 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.3 OUTLIER -110.92 -12.47 14.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.359 -0.382 . . . . 0.34 110.844 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.04 -34.56 56.98 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.912 0.708 . . . . 2.06 112.912 -177.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.94 -32.29 63.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.162 0.506 . . . . 1.26 110.534 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.563 ' OG1' HD12 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -73.04 -51.73 17.01 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.312 -0.858 . . . . 1.26 110.76 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.664 HG22 HD22 ' A' ' 53' ' ' LEU . 13.1 mt -55.93 -42.53 71.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.457 -0.792 . . . . 1.12 110.909 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.68 -38.02 80.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 1.26 111.959 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.401 ' CG ' ' HZ3' ' A' ' 87' ' ' LYS . 32.7 t70 -70.62 -39.8 73.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.447 -0.342 . . . . 1.4 111.056 -179.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.578 HD23 ' HA ' ' A' ' 18' ' ' THR . 27.0 mt -67.68 -31.94 72.25 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.375 0.509 . . . . 1.2 112.375 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -28.97 63.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.171 0.51 . . . . 1.68 109.856 178.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.18 -29.59 48.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.778 -0.646 . . . . 3.53 110.191 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.401 ' HZ3' ' CG ' ' A' ' 83' ' ' ASP . 6.1 mmtm -83.55 -15.22 50.08 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.092 -0.504 . . . . 3.36 111.148 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.86 154.17 38.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 3.45 110.588 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.49 68.22 1.57 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.993 0.425 . . . . 3.42 111.636 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.2 m 56.83 49.13 14.75 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.428 -0.805 . . . . 3.96 111.686 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.931 -0.557 . . . . 6.44 109.696 179.554 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.207 0 CA-C-O 120.876 0.37 . . . . 6.57 110.814 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.3 mt -108.3 -8.32 15.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.588 0.708 . . . . 5.89 109.741 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.777 ' HB2' ' HB3' ' A' ' 16' ' ' ARG . 16.5 p-10 -88.14 50.83 2.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.19 -0.914 . . . . 3.69 111.958 -179.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -46.6 85.74 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.871 -0.418 . . . . 2.92 109.871 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -82.54 -30.95 29.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.751 -0.659 . . . . 1.5 110.351 178.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.777 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -65.47 -38.19 89.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.951 -0.568 . . . . 4.29 110.664 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.2 ttm -61.36 -41.91 97.85 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.287 -0.635 . . . . 3.42 109.287 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.461 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.5 m -63.3 -48.65 77.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.305 -0.861 . . . . 0.97 110.562 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.434 ' CE1' ' HG3' ' A' ' 47' ' ' LYS . 89.2 t80 -62.06 -43.2 99.35 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.871 -0.604 . . . . 1.04 111.092 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -41.91 77.31 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.026 -0.533 . . . . 2.35 111.21 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.19 -40.55 94.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.251 0.548 . . . . 4.27 110.974 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.69 ' HB3' HD23 ' A' ' 46' ' ' LEU . 1.1 mt -68.26 -36.89 80.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.693 -0.685 . . . . 1.11 110.209 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -45.62 91.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.261 0.553 . . . . 3.91 110.519 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.89 -34.61 76.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.612 -0.722 . . . . 2.36 111.025 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.679 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -74.52 -32.05 62.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.194 -0.457 . . . . 1.13 110.277 -179.501 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.703 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 23.5 m -66.68 -36.36 82.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.946 0.403 . . . . 1.42 110.076 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -74.65 -32.02 62.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.851 -0.613 . . . . 1.25 110.627 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.08 -55.92 5.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.991 -0.55 . . . . 1.69 111.78 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 76' ' ' TYR . 67.1 mt -64.94 -41.3 95.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.532 -0.304 . . . . 1.12 111.44 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.74 -43.38 97.86 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.794 -0.717 . . . . 0.65 113.159 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -78.07 -13.41 59.88 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 117.194 0.497 . . . . 1.94 111.54 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.57 -4.91 47.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.958 0.408 . . . . 4.39 110.579 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.82 159.24 21.44 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.585 -0.524 . . . . 2.38 109.585 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 42.7 t -136.3 111.88 10.06 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.578 -0.283 . . . . 2.36 110.596 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -70.75 149.34 90.8 Favored 'Cis proline' 0 C--N 1.347 0.498 0 C-N-CA 123.685 -1.381 . . . . 2.14 112.128 -0.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.65 130.58 39.45 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.649 2.233 . . . . 1.42 112.491 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.39 121.9 36.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.735 -0.666 . . . . 2.02 109.518 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.54 -53.54 43.06 Favored Glycine 0 CA--C 1.504 -0.651 0 N-CA-C 110.716 -0.954 . . . . 1.61 110.716 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.532 HD22 ' HH ' ' A' ' 70' ' ' TYR . 8.8 p-10 -114.84 93.56 4.37 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 122.285 1.04 . . . . 2.77 109.467 178.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.703 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 17.7 t80 -60.58 -57.63 11.91 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.251 -0.886 . . . . 0.52 108.915 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.778 ' HG2' ' HE1' ' A' ' 49' ' ' MET . 0.9 OUTLIER -134.63 126.2 17.94 Favored Pre-proline 0 N--CA 1.441 -0.877 0 CA-C-N 115.335 -0.848 . . . . 1.11 108.849 177.871 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -63.81 148.96 91.73 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.697 2.264 . . . . 0.37 112.345 -178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -52.48 -37.59 57.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.499 -0.773 . . . . 1.51 110.812 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.542 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -64.05 -52.08 61.07 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.777 -0.647 . . . . 0.97 111.095 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.437 ' O ' ' HB3' ' A' ' 49' ' ' MET . 19.5 mm -64.08 -37.68 80.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.615 -0.72 . . . . 1.16 111.343 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.8 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 50.4 mt -62.0 -35.27 78.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.485 -0.325 . . . . 1.05 110.736 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.434 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 51.8 mttt -72.42 -43.05 64.4 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.194 0.442 . . . . 1.44 112.194 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.1 OUTLIER -73.85 -40.98 62.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.98 0.419 . . . . 1.43 110.739 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.8 ' SD ' ' HA ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -65.88 -31.1 71.85 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.188 -0.46 . . . . 1.07 111.074 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 46' ' ' LEU . . . -79.29 -27.95 42.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.001 0.429 . . . . 1.05 110.782 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.453 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . . . -84.19 -39.38 19.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.022 -0.536 . . . . 1.12 112.397 -178.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.411 HD11 ' O ' ' A' ' 48' ' ' LYS . 1.2 mp -88.06 -34.37 7.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.693 0.283 . . . . 1.11 110.897 -179.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.407 HD23 ' HB2' ' A' ' 84' ' ' LEU . 11.1 mt 56.15 65.49 4.21 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 115.704 -0.68 . . . . 1.12 111.589 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.705 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 2.7 Cg_exo -75.3 113.46 3.77 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.044 2.496 . . . . 0.49 111.579 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.437 ' HE1' ' HB2' ' A' ' 82' ' ' ALA . 3.2 mtp -65.76 -25.96 67.5 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.29 0.478 . . . . 1.97 112.29 -178.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -150.54 -175.39 5.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.066 0.46 . . . . 3.03 111.656 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.653 ' HA ' ' CD2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -61.47 -31.75 71.73 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.083 -0.962 . . . . 2.68 112.34 -178.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -49.07 77.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.831 0.348 . . . . 1.47 111.719 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.705 ' HB1' ' HB3' ' A' ' 54' ' ' PRO . . . -64.31 -26.58 68.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 1.31 111.621 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.653 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 2.7 m-30 -50.52 -24.59 3.28 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.397 0.888 . . . . 0.51 113.397 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.48 -23.98 42.89 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.907 0.384 . . . . 1.31 111.507 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.5 p -79.13 -25.69 42.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.932 0.396 . . . . 1.62 111.119 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.461 HD22 ' HA ' ' A' ' 49' ' ' MET . 5.4 mt -66.5 -34.09 77.14 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.761 0.791 . . . . 1.08 109.724 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.98 -155.33 16.74 Favored Glycine 0 N--CA 1.438 -1.204 0 CA-C-N 114.724 -1.125 . . . . 1.61 111.063 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.28 68.85 9.94 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 111.906 0.336 . . . . 2.96 111.906 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.18 134.14 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 109.122 -0.695 . . . . 1.27 109.122 178.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.531 ' HG3' ' HD2' ' A' ' 69' ' ' LYS . 4.2 tp10 -57.73 153.11 14.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.149 0.5 . . . . 2.42 111.765 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -39.06 78.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.688 -0.687 . . . . 1.72 110.895 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.531 ' HD2' ' HG3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -70.56 -25.89 63.29 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.028 0.442 . . . . 2.44 110.696 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.532 ' HH ' HD22 ' A' ' 39' ' ' ASN . 31.4 m-85 -82.42 -35.6 27.46 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.547 -0.538 . . . . 1.91 109.547 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.722 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 6.5 ttp180 -65.62 -34.8 79.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.16 0.505 . . . . 3.25 109.922 177.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -68.58 0.28 Allowed 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 115.544 -0.753 . . . . 5.06 112.431 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -4.97 10.82 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.583 0.23 . . . . 2.23 111.492 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.722 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -55.54 -31.27 61.99 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 108.486 -0.931 . . . . 0.39 108.486 177.505 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.651 ' HZ1' ' HH ' ' A' ' 76' ' ' TYR . 0.9 OUTLIER -52.76 -26.92 15.66 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 114.556 -1.202 . . . . 2.23 112.004 179.865 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.651 ' HH ' ' HZ1' ' A' ' 75' ' ' LYS . 52.2 m-85 -79.58 -8.89 59.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.084 0.468 . . . . 1.46 111.077 -179.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.694 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.9 OUTLIER -112.02 -15.76 13.22 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.109 -0.496 . . . . 0.34 110.51 178.749 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.421 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -59.7 -32.19 70.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.146 -0.479 . . . . 2.06 112.014 -178.429 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.02 -33.7 65.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.037 0.446 . . . . 1.26 111.01 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.16 -46.81 14.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.955 -0.566 . . . . 1.26 111.812 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 90.2 mt -60.98 -33.35 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.981 0.419 . . . . 1.12 110.21 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.437 ' HB2' ' HE1' ' A' ' 55' ' ' MET . . . -70.94 -24.19 62.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.489 0.662 . . . . 1.26 110.356 178.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -90.11 -39.52 12.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.805 -0.634 . . . . 1.4 110.757 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.461 HD22 ' HA ' ' A' ' 18' ' ' THR . 10.1 mt -57.35 -27.67 62.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.999 -0.546 . . . . 1.2 112.078 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -28.78 68.64 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.029 0.443 . . . . 1.68 110.377 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -90.77 -35.0 15.11 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 109.341 -0.614 . . . . 3.53 109.341 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -65.89 -25.63 67.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.185 -0.916 . . . . 3.36 111.069 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -60.7 -28.05 68.34 Favored 'General case' 0 N--CA 1.462 0.162 0 O-C-N 123.287 0.367 . . . . 3.45 110.599 179.658 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.9 -48.38 3.93 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.919 -0.582 . . . . 3.42 109.923 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.94 98.78 4.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.455 -0.339 . . . . 3.96 110.427 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.681 -0.676 . . . . 6.44 111.527 -179.504 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 CA--C 1.519 -0.241 0 N-CA-C 109.495 -0.557 . . . . 2.24 109.495 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.48 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -61.51 -35.24 77.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.731 -0.668 . . . . 0.91 110.084 178.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -39.27 79.92 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.14 -0.689 . . . . 3.67 109.14 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.42 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -66.49 -34.07 77.11 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.887 -0.782 . . . . 2.93 108.887 178.287 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.949 HG23 HD13 ' A' ' 84' ' ' LEU . 36.2 m -66.09 -52.68 46.49 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.388 -0.824 . . . . 0.38 110.309 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -57.5 -39.92 77.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.75 -0.659 . . . . 0.61 110.786 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.77 -43.05 66.4 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.911 -0.586 . . . . 2.35 110.625 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -61.65 -33.21 73.55 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.235 0.54 . . . . 3.57 110.015 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.835 ' HB3' HD22 ' A' ' 46' ' ' LEU . 2.6 mt -71.36 -41.11 70.14 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.388 -0.824 . . . . 0.33 109.673 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -62.89 -41.42 99.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.345 0.593 . . . . 3.33 110.245 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -70.75 -36.74 73.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.666 -0.697 . . . . 2.36 111.003 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.557 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -73.75 -38.45 64.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.865 -0.607 . . . . 0.28 110.681 -178.923 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.876 ' HG ' ' HZ ' ' A' ' 77' ' ' PHE . 18.8 m -62.44 -39.06 92.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.691 0.282 . . . . 0.86 110.68 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mp -77.85 -29.45 50.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.162 0.506 . . . . 0.6 110.485 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -70.06 -60.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.879 -0.6 . . . . 1.31 110.921 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.5 mt -66.42 -31.76 72.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.023 0.44 . . . . 0.49 110.776 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.5 -34.97 91.06 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.553 -0.832 . . . . 0.65 113.014 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -87.56 -11.96 47.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.376 0.608 . . . . 1.94 110.094 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -90.39 -3.1 57.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.845 -0.616 . . . . 3.82 110.216 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.406 ' SD ' HG22 ' A' ' 37' ' ' VAL . 8.7 ttm -97.11 142.74 28.68 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.446 -0.576 . . . . 1.84 109.446 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 2.1 t -121.92 115.61 30.49 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 120.804 -0.358 . . . . 1.87 110.553 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 71.6 Cg_endo -78.11 158.34 93.84 Favored 'Cis proline' 0 C--O 1.237 0.45 0 C-N-CA 123.403 -1.499 . . . . 1.86 112.207 0.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -50.88 140.19 39.17 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.918 2.412 . . . . 1.42 112.731 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.406 HG22 ' SD ' ' A' ' 33' ' ' MET . 1.2 t -76.99 -41.22 31.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.237 -0.892 . . . . 2.02 111.846 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.79 -62.44 4.55 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 109.832 -1.307 . . . . 1.27 109.832 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -115.41 80.9 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.554 -0.906 . . . . 2.13 108.554 177.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.71 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 27.9 t80 -60.75 -42.87 98.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.632 -0.713 . . . . 0.52 110.256 -178.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.662 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 7.0 tpp -146.51 125.1 6.34 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 115.351 -0.841 . . . . 0.28 109.329 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.85 147.38 92.74 Favored 'Trans proline' 0 C--O 1.239 0.572 0 C-N-CA 122.736 2.291 . . . . 0.29 112.183 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.56 ' HA ' HD12 ' A' ' 46' ' ' LEU . 18.5 t70 -51.25 -39.97 57.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.347 -0.842 . . . . 1.51 111.746 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.584 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -64.1 -47.56 79.55 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.547 -0.297 . . . . 0.57 111.344 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.814 HD12 HG12 ' A' ' 66' ' ' VAL . 28.4 mm -64.73 -38.29 82.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.511 0.196 . . . . 0.34 110.727 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.835 HD22 ' HB3' ' A' ' 22' ' ' LEU . 26.6 mt -60.78 -35.75 77.24 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-O 120.896 0.379 . . . . 0.26 110.123 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -69.46 -55.53 9.99 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.815 0.672 . . . . 0.97 112.815 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -65.38 -41.16 94.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.65 0.262 . . . . 0.77 111.529 -178.498 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.457 ' SD ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -66.95 -30.32 70.42 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.672 -0.411 . . . . 1.07 110.857 -179.394 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.78 -30.05 62.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.702 0.286 . . . . 0.22 111.601 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.48 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -87.93 -42.73 12.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.13 0.49 . . . . 0.3 112.119 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mp -80.79 -34.37 13.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.79 -0.364 . . . . 0.37 110.826 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.585 HD13 ' HA ' ' A' ' 85' ' ' SER . 28.4 mt 49.81 68.35 3.55 Favored Pre-proline 0 N--CA 1.466 0.332 0 CA-C-N 115.528 -0.76 . . . . 0.41 111.513 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -79.37 119.02 4.05 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.926 2.417 . . . . 0.48 111.196 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.457 ' HG2' ' HA ' ' A' ' 82' ' ' ALA . 8.1 mtp -96.32 8.53 43.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.042 -0.526 . . . . 1.66 111.649 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -152.25 157.61 41.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.509 -0.314 . . . . 2.68 111.066 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -35.61 80.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.077 -0.511 . . . . 2.68 110.37 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -23.12 66.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.873 -0.603 . . . . 1.02 110.387 179.071 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.91 -30.6 16.8 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.03 -0.532 . . . . 0.62 110.494 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.97 -26.53 6.1 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.475 -0.784 . . . . 0.46 112.299 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.55 -21.01 59.67 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.308 0.485 . . . . 0.67 112.308 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.5 p -79.99 -1.99 42.05 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.948 0.404 . . . . 1.13 111.585 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 63' ' ' LEU . 13.6 mt -76.8 -3.43 38.29 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.147 0.499 . . . . 0.68 109.94 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.2 -70.99 3.01 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.764 -0.653 . . . . 1.61 112.671 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.81 98.83 3.01 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.319 0.859 . . . . 2.55 113.319 -178.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.814 HG12 HD12 ' A' ' 45' ' ' ILE . 5.2 m -116.47 121.67 68.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.792 -0.818 . . . . 0.89 108.792 176.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.444 ' HB3' ' HG2' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -55.07 151.35 9.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.933 -0.576 . . . . 2.42 110.588 -178.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.77 -33.14 72.51 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.798 -0.445 . . . . 1.72 109.798 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.444 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -70.55 -27.28 64.03 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.669 -0.696 . . . . 1.97 109.642 178.426 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -76.08 -34.58 59.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.658 -0.701 . . . . 1.29 109.213 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.757 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 3.5 ttp180 -64.58 -32.91 74.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.422 -0.808 . . . . 2.55 111.166 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.521 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 11.9 mtp-105 -63.66 -67.78 0.4 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.45 -0.341 . . . . 4.38 111.846 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -5.5 5.42 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.118 0.485 . . . . 1.44 111.888 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.757 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -58.1 -35.11 70.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.119 -0.946 . . . . 0.36 110.108 177.351 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 12.8 ptpt -55.34 -23.81 25.91 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.991 -1.004 . . . . 1.72 112.606 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.63 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 35.7 m-85 -83.58 -5.75 59.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.892 0.377 . . . . 0.99 111.581 -179.052 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.876 ' HZ ' ' HG ' ' A' ' 26' ' ' SER . 1.9 m-85 -107.67 -15.53 14.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.271 -0.422 . . . . 0.27 111.8 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -36.53 43.4 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.38 0.881 . . . . 1.37 113.38 -177.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.76 -32.36 73.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.757 0.313 . . . . 0.56 111.662 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.448 HG22 HD11 ' A' ' 84' ' ' LEU . 2.5 m -86.75 -43.32 12.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.57 -0.286 . . . . 0.53 111.078 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 77' ' ' PHE . 36.3 mt -59.81 -42.61 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 120.816 0.341 . . . . 0.55 110.732 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.457 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -62.13 -38.88 90.64 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.53 111.498 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.14 -46.98 66.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.842 -0.617 . . . . 1.4 111.409 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.949 HD13 HG23 ' A' ' 18' ' ' THR . 4.9 mt -69.89 -30.43 67.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.36 . . . . 0.48 111.532 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.585 ' HA ' HD13 ' A' ' 53' ' ' LEU . 8.2 t -71.5 -29.69 65.1 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.433 0.635 . . . . 1.37 109.571 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.53 -39.07 32.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.439 -0.8 . . . . 3.07 109.929 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt . . . . . 0 C--O 1.235 0.301 0 CA-C-N 115.861 -0.609 . . . . 2.78 111.509 -179.399 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 121.274 0.559 . . . . 2.24 109.531 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.704 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -55.99 -29.69 60.69 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.253 -0.885 . . . . 0.91 111.008 178.52 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.2 ttp85 -63.16 -38.81 92.64 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.591 -0.522 . . . . 3.67 109.591 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -35.47 80.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.869 -0.605 . . . . 2.93 109.832 178.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.434 HG23 HD13 ' A' ' 84' ' ' LEU . 2.3 m -67.25 -49.16 65.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.468 -0.787 . . . . 0.38 110.224 178.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -67.66 -39.81 84.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.816 -0.629 . . . . 0.61 111.255 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -67.05 -36.87 83.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.47 -0.332 . . . . 2.35 110.69 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.499 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -68.2 -31.3 70.72 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.385 -0.598 . . . . 3.57 109.385 179.162 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.983 ' HB3' HD22 ' A' ' 46' ' ' LEU . 6.9 mt -75.59 -37.47 59.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.225 -0.898 . . . . 0.33 110.086 178.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -69.51 -35.41 75.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.205 0.526 . . . . 3.33 110.367 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -37.89 58.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.796 -0.638 . . . . 2.36 110.062 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.661 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -72.25 -35.4 68.79 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.552 -0.536 . . . . 0.28 109.552 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.538 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 43.4 t -66.52 -40.83 89.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.86 111.215 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 mp -76.54 -30.87 57.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.783 0.325 . . . . 0.6 111.166 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -76.32 -54.44 6.77 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.138 -0.483 . . . . 1.31 110.545 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.406 ' HG ' HD22 ' A' ' 25' ' ' LEU . 24.2 mt -61.35 -40.29 93.71 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 120.866 0.365 . . . . 0.49 110.341 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.3 -29.15 70.6 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.88 -0.676 . . . . 0.65 112.905 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -95.82 -13.09 24.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 117.258 0.529 . . . . 1.94 110.702 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -94.2 -5.88 46.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.519 0.676 . . . . 3.82 110.344 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 17.1 mtp -93.96 154.68 17.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.395 -0.821 . . . . 1.84 109.999 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 47.8 t -121.57 115.86 30.85 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.643 -0.502 . . . . 1.87 109.643 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 6.5 Cg_endo -85.93 156.61 56.86 Favored 'Cis proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.446 -1.481 . . . . 1.86 112.084 0.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_exo -46.74 117.83 2.32 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.901 2.401 . . . . 1.42 112.28 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 t -71.39 -34.48 53.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.012 -0.995 . . . . 2.02 111.81 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.17 -68.15 3.61 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.676 -0.969 . . . . 1.27 110.676 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -111.55 81.65 1.48 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.479 -0.934 . . . . 2.13 108.479 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.659 ' HZ ' ' HB2' ' A' ' 76' ' ' TYR . 37.3 t80 -56.89 -48.81 77.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.247 -0.888 . . . . 0.52 110.799 -178.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.732 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 2.2 tpp -136.38 122.05 13.45 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.35 -0.611 . . . . 0.28 109.35 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -56.73 144.16 87.65 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.775 2.316 . . . . 0.29 112.191 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -39.32 63.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.824 -0.626 . . . . 1.51 111.89 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.626 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -63.41 -40.65 97.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.385 -0.37 . . . . 0.57 111.263 179.866 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.2 mm -71.71 -36.63 59.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.26 -0.427 . . . . 0.34 110.777 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.983 HD22 ' HB3' ' A' ' 22' ' ' LEU . 76.1 mt -63.36 -40.46 97.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.302 -0.408 . . . . 0.26 110.807 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -64.01 -48.24 77.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.97 111.629 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.626 ' HG2' ' O ' ' A' ' 44' ' ' SER . 12.9 ptpt -71.74 -40.67 69.23 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.797 -0.361 . . . . 0.77 111.837 -179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -29.01 68.51 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.996 -0.282 . . . . 1.07 111.017 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.07 -32.89 26.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.835 0.35 . . . . 0.22 111.155 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.704 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -76.92 -37.18 55.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.184 -0.462 . . . . 0.3 111.485 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.2 mp -94.95 -35.21 5.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.98 -0.554 . . . . 0.37 111.209 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.564 HD13 ' HA ' ' A' ' 85' ' ' SER . 18.6 mt 50.61 72.38 1.25 Allowed Pre-proline 0 N--CA 1.465 0.319 0 O-C-N 123.583 0.552 . . . . 0.41 110.813 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.454 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 11.8 Cg_endo -91.81 106.74 0.25 Allowed 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.575 2.85 . . . . 0.48 113.373 -178.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.44 ' HG2' HG22 ' A' ' 81' ' ' ILE . 34.9 mmm -99.86 30.7 3.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.635 0.255 . . . . 1.66 111.069 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.6 146.2 22.06 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.217 -0.66 . . . . 2.68 109.217 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -54.16 -44.65 71.65 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 113.428 0.899 . . . . 2.68 113.428 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.54 -33.94 75.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.366 0.603 . . . . 1.02 111.32 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.97 -30.34 50.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.002 -0.544 . . . . 0.62 110.906 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.477 ' HD1' ' HA ' ' A' ' 60' ' ' PHE . 0.1 OUTLIER -59.36 -25.14 63.98 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.821 0.343 . . . . 0.46 111.91 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.04 -24.88 64.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.54 . . . . 0.67 112.001 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.6 p -70.02 -13.66 62.33 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.085 0.469 . . . . 1.13 111.491 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.487 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 49.2 mt -80.53 11.2 3.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.154 -0.476 . . . . 0.68 110.537 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.8 38.08 8.24 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 109.795 -1.322 . . . . 1.61 109.795 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.0 p 49.35 78.49 0.09 Allowed 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.743 0.817 . . . . 2.55 111.306 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.527 HG21 ' HE2' ' A' ' 74' ' ' PHE . 10.2 m -59.89 133.05 25.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.792 -0.64 . . . . 0.89 111.005 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.401 ' HB3' ' HG2' ' A' ' 69' ' ' LYS . 2.3 tt0 -68.17 162.43 24.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.274 -0.875 . . . . 2.42 110.342 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.427 ' O ' ' HD2' ' A' ' 72' ' ' ARG . 5.0 t70 -59.69 -36.12 75.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.711 -0.222 . . . . 1.72 111.41 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -59.03 -26.63 64.74 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.856 0.36 . . . . 1.97 110.654 179.391 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.422 ' O ' ' HD3' ' A' ' 73' ' ' ARG . 96.6 m-85 -84.49 -31.42 24.51 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.506 -0.553 . . . . 1.29 109.506 178.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.543 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -67.95 -40.09 83.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.252 -0.885 . . . . 2.55 111.576 179.588 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.427 ' HD2' ' O ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -56.3 -44.65 80.09 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.606 0.595 . . . . 4.38 112.606 -178.275 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.422 ' HD3' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -93.33 -4.32 51.85 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.464 -0.494 . . . . 1.44 109.795 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.543 ' HB2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -58.79 -35.28 72.56 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.807 -0.633 . . . . 0.36 110.979 179.208 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.738 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -59.04 -23.16 61.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.631 -0.713 . . . . 1.72 111.992 -179.574 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.659 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 74.0 m-85 -78.02 -6.93 56.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.885 0.374 . . . . 0.99 110.894 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.732 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.8 OUTLIER -113.43 -17.6 12.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.09 0.471 . . . . 0.27 110.159 179.141 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.738 ' HD3' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -54.65 -29.3 52.05 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.007 0.743 . . . . 1.37 113.007 -178.703 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.46 -34.36 70.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.737 0.303 . . . . 0.56 110.591 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.67 -39.74 15.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.715 -0.221 . . . . 0.53 111.019 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 77' ' ' PHE . 63.4 mt -58.45 -43.09 85.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.257 -0.429 . . . . 0.55 110.082 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.65 88.02 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.779 -0.646 . . . . 0.53 111.849 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -76.63 -46.48 25.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.245 -0.434 . . . . 1.4 111.62 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.434 HD13 HG23 ' A' ' 18' ' ' THR . 21.5 mt -61.92 -30.71 71.08 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 112.271 0.471 . . . . 0.48 112.271 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.564 ' HA ' HD13 ' A' ' 53' ' ' LEU . 2.5 p -74.08 -27.49 60.93 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 120.844 0.354 . . . . 1.37 110.63 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -97.96 7.33 46.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 3.07 110.84 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.464 0.265 0 CA-C-N 116.421 -0.354 . . . . 2.78 111.44 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 p30 . . . . . 0 N--CA 1.46 0.041 0 N-CA-C 112.241 0.46 . . . . 2.24 112.241 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -40.25 93.62 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 121.125 -0.23 . . . . 0.91 111.21 -178.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -39.16 87.03 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.575 -0.528 . . . . 3.67 109.575 178.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -33.4 75.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.904 -0.589 . . . . 2.93 110.108 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.514 HG21 HD21 ' A' ' 53' ' ' LEU . 21.9 m -63.11 -53.29 55.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.514 -0.766 . . . . 0.38 110.074 178.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.436 ' CE1' ' HG3' ' A' ' 47' ' ' LYS . 44.6 t80 -63.14 -41.55 99.32 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.975 0.417 . . . . 0.61 110.543 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -64.41 -39.4 93.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.259 -0.428 . . . . 2.35 111.403 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -69.31 -34.45 74.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.365 . . . . 3.57 110.691 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.651 ' HB3' HD22 ' A' ' 46' ' ' LEU . 6.9 mt -72.02 -34.44 68.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.795 -0.639 . . . . 0.33 109.568 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -72.62 -36.43 68.06 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.802 -0.635 . . . . 3.33 109.985 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.05 -37.71 78.7 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.026 -0.731 . . . . 2.36 109.026 178.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.577 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -69.1 -37.71 78.57 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.385 -0.825 . . . . 0.28 109.151 178.832 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.418 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.4 OUTLIER -64.76 -36.29 83.84 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.495 -0.775 . . . . 0.86 111.377 179.632 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 mp -74.16 -30.49 62.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.185 0.517 . . . . 0.6 110.215 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -77.7 -59.61 2.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.894 -0.594 . . . . 1.31 111.345 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.413 ' HG ' HD22 ' A' ' 25' ' ' LEU . 53.1 mt -62.54 -33.53 75.1 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.01 0.433 . . . . 0.49 111.066 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.99 -44.38 97.48 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.885 -0.674 . . . . 0.65 113.857 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -83.33 -13.37 55.19 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.224 0.535 . . . . 1.94 110.99 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -90.28 -6.15 55.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.302 0.572 . . . . 3.82 110.743 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.3 ttm -96.76 152.49 18.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.47 -0.786 . . . . 1.84 109.208 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 t -132.1 120.68 17.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.351 -0.24 . . . . 1.87 110.351 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -69.3 147.2 83.2 Favored 'Cis proline' 0 C--O 1.234 0.312 0 C-N-CA 123.8 -1.333 . . . . 1.86 111.451 -0.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.82 130.12 38.67 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.33 2.02 . . . . 1.42 112.787 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 37' ' ' VAL . 0.9 OUTLIER -75.74 -21.14 15.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.413 -0.812 . . . . 2.02 110.446 -179.605 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.1 -74.26 1.66 Allowed Glycine 0 CA--C 1.508 -0.372 0 N-CA-C 109.452 -1.459 . . . . 1.27 109.452 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -111.87 75.2 0.9 Allowed 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.048 -1.093 . . . . 2.13 108.048 176.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.546 ' HZ ' ' HB2' ' A' ' 76' ' ' TYR . 13.4 t80 -22.38 -72.49 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 O-C-N 124.682 1.239 . . . . 0.52 111.459 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.883 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 8.3 tpp -108.89 133.65 20.62 Favored Pre-proline 0 N--CA 1.443 -0.8 0 N-CA-C 109.183 -0.673 . . . . 0.28 109.183 177.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.72 146.45 92.19 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.193 1.929 . . . . 0.29 112.175 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.33 -39.28 56.63 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.939 -0.573 . . . . 1.51 111.699 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.52 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -63.51 -47.0 83.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.799 -0.637 . . . . 0.57 111.356 -179.679 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.532 ' O ' ' HB3' ' A' ' 49' ' ' MET . 1.4 mm -67.24 -38.75 81.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.344 -0.389 . . . . 0.34 111.143 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.834 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 60.8 mt -60.87 -37.49 82.31 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.784 0.326 . . . . 0.26 111.087 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.436 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 12.7 mtmt -69.26 -46.33 67.52 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.464 0.542 . . . . 0.97 112.464 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 44' ' ' SER . 7.9 ptpt -69.5 -40.17 77.16 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.094 0.474 . . . . 0.77 110.634 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.834 ' SD ' ' HA ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -65.69 -31.69 72.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.786 -0.643 . . . . 1.07 110.704 179.857 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.421 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -80.5 -33.24 36.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.641 0.258 . . . . 0.22 111.362 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.0 -43.59 29.08 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.067 -0.253 . . . . 0.3 111.493 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 mp -84.57 -34.58 9.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.441 -0.345 . . . . 0.37 110.498 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.726 HD13 ' HA ' ' A' ' 85' ' ' SER . 15.5 mt 52.89 72.09 1.26 Allowed Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.75 -0.659 . . . . 0.41 111.429 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.81 106.76 2.19 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 123.081 2.521 . . . . 0.48 112.31 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.6 mtp -82.76 -29.14 29.9 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.664 -0.698 . . . . 1.66 110.851 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -120.76 169.4 10.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.063 -0.517 . . . . 2.68 110.974 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.22 -28.77 68.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.048 -0.524 . . . . 2.68 110.679 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -35.57 77.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.451 0.643 . . . . 1.02 109.44 178.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.78 -26.46 62.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.518 -0.764 . . . . 0.62 110.656 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.666 ' HE2' ' HE3' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -64.17 -25.01 67.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.677 -0.692 . . . . 0.46 111.278 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.86 -25.86 68.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.434 -0.348 . . . . 0.67 111.516 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.99 0.47 31.48 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.751 -0.38 . . . . 1.13 111.698 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' A' ' 49' ' ' MET . 5.7 mt -83.3 -18.86 37.56 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.475 0.655 . . . . 0.68 109.299 178.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.08 -102.42 0.93 Allowed Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 115.283 -0.872 . . . . 1.61 111.035 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.5 106.53 4.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.651 0.225 . . . . 2.55 111.3 179.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.494 HG11 ' HE2' ' A' ' 74' ' ' PHE . 16.7 m -109.95 122.46 64.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.729 -0.471 . . . . 0.89 109.729 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -68.28 168.18 12.92 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.168 -0.469 . . . . 2.42 110.838 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -54.5 -38.43 66.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.751 -0.659 . . . . 1.72 111.104 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.69 -27.7 69.39 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.895 0.379 . . . . 1.97 111.013 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.488 ' O ' ' HD2' ' A' ' 73' ' ' ARG . 73.9 m-85 -81.36 -37.6 27.98 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.231 -0.44 . . . . 1.29 110.216 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.449 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 14.2 mtt85 -69.5 -34.94 75.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.266 0.555 . . . . 2.55 109.842 178.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -34.25 77.55 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.466 -0.788 . . . . 4.38 111.718 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.488 ' HD2' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -99.07 -4.13 33.1 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.681 0.753 . . . . 1.44 110.109 179.413 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.648 ' HE1' ' HE3' ' A' ' 49' ' ' MET . 0.1 OUTLIER -68.28 -34.9 77.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.366 -0.833 . . . . 0.36 110.648 179.094 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.499 ' HA ' ' HG3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -59.5 -26.06 64.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.951 -0.568 . . . . 1.72 111.313 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.546 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 28.5 m-85 -76.81 -7.79 56.11 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.304 0.573 . . . . 0.99 110.241 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.883 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.3 OUTLIER -111.79 -18.48 12.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.306 -0.861 . . . . 0.27 111.059 179.32 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.666 ' HE3' ' HE2' ' A' ' 60' ' ' PHE . 2.7 mttp -57.59 -32.2 66.94 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.323 0.86 . . . . 1.37 113.323 -177.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.3 -31.11 65.41 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.783 -0.367 . . . . 0.56 111.665 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 m -90.48 -40.0 12.27 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.906 -0.588 . . . . 0.53 111.362 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 77' ' ' PHE . 50.0 mt -59.41 -43.62 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.777 0.323 . . . . 0.55 110.365 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.98 -34.2 77.56 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.223 -0.444 . . . . 0.53 111.458 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -70.53 -40.63 73.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.348 -0.387 . . . . 1.4 110.486 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.496 HD13 HG23 ' A' ' 18' ' ' THR . 13.2 mt -70.27 -31.43 68.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.403 0.52 . . . . 0.48 112.403 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.726 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -73.16 -35.09 66.38 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.796 0.332 . . . . 1.37 111.34 -179.104 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -71.55 -38.32 71.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.338 -0.392 . . . . 3.07 110.063 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.08 -0.509 . . . . 2.78 110.699 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 N--CA 1.462 0.171 0 CA-C-O 120.397 0.142 . . . . 2.24 110.967 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -57.98 -31.18 66.67 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.182 0.515 . . . . 0.91 110.331 179.806 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' HE ' ' CD ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -66.3 -38.74 88.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.617 -0.719 . . . . 3.67 110.177 179.195 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.42 -36.0 80.39 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.064 -0.516 . . . . 2.93 109.826 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.592 HG23 HD13 ' A' ' 84' ' ' LEU . 4.3 m -60.46 -51.95 67.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.732 -0.667 . . . . 0.38 110.94 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -62.24 -42.03 98.96 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.961 -0.563 . . . . 0.61 110.464 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' CD ' ' HE ' ' A' ' 16' ' ' ARG . 9.7 mt-10 -62.46 -46.81 86.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 2.35 110.289 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.516 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -61.19 -35.19 76.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.7 -0.682 . . . . 3.57 111.258 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.771 ' HB3' HD22 ' A' ' 46' ' ' LEU . 3.3 mt -73.01 -36.94 67.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.557 -0.292 . . . . 0.33 111.038 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -71.63 -38.99 70.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.072 0.463 . . . . 3.33 110.053 179.404 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.86 -34.02 73.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.908 -0.587 . . . . 2.36 110.096 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.693 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -75.8 -32.26 59.79 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.336 -0.616 . . . . 0.28 109.336 179.103 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.756 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -64.4 -36.68 84.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.432 0.634 . . . . 0.86 109.649 179.138 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mp -77.7 -29.9 51.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.831 -0.622 . . . . 0.6 110.809 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -76.84 -60.27 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 1.31 111.124 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.517 ' CD1' HD13 ' A' ' 25' ' ' LEU . 53.5 mt -59.81 -35.11 74.03 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 120.589 0.233 . . . . 0.49 111.097 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.25 -34.52 84.87 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.878 -0.677 . . . . 0.65 112.84 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -95.68 -16.46 21.99 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.268 0.556 . . . . 1.94 110.005 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.35 -8.21 59.45 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.821 -0.627 . . . . 3.82 109.499 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.41 144.29 26.47 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.991 -1.004 . . . . 1.84 109.393 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.3 t -131.31 110.87 15.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.034 -0.728 . . . . 1.87 109.034 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 5.9 Cg_exo -73.89 152.24 98.01 Favored 'Cis proline' 0 C--N 1.344 0.339 0 C-N-CA 123.146 -1.606 . . . . 1.86 112.7 0.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' PRO . 53.6 Cg_exo -55.58 144.54 74.06 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.202 2.602 . . . . 1.42 112.685 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.0 t -85.98 -31.06 6.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.557 -0.747 . . . . 2.02 111.028 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.12 -79.38 1.72 Allowed Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 110.011 -1.236 . . . . 1.27 110.011 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -102.04 87.1 3.01 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.925 -1.139 . . . . 2.13 107.925 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.756 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 5.0 t80 -57.78 -86.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.48 -0.782 . . . . 0.52 110.944 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.741 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 23.0 tpp -111.14 135.5 20.9 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 109.884 -0.413 . . . . 0.28 109.884 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.584 ' HG2' ' HE2' ' A' ' 70' ' ' TYR . 19.1 Cg_exo -65.75 147.92 86.18 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.603 2.202 . . . . 0.29 111.525 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.464 ' HA ' HD12 ' A' ' 46' ' ' LEU . 31.1 t70 -52.93 -38.27 61.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.649 -0.705 . . . . 1.51 111.417 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -55.18 37.38 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.666 -0.697 . . . . 0.57 111.316 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.407 ' HA ' ' HG3' ' A' ' 48' ' ' LYS . 8.9 mm -63.26 -38.47 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.535 -0.302 . . . . 0.34 111.183 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.835 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 89.0 mt -56.61 -35.93 68.85 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.26 110.874 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -75.31 -44.19 46.8 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.893 0.701 . . . . 0.97 112.893 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HB2' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -70.56 -40.79 73.15 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 119.888 -0.725 . . . . 0.77 110.049 179.698 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.835 ' SD ' ' HA ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -65.84 -29.51 69.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.641 -0.709 . . . . 1.07 110.643 179.37 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.24 -29.34 60.2 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.965 0.412 . . . . 0.22 110.914 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.55 ' HA ' HD21 ' A' ' 15' ' ' LEU . . . -86.33 -44.91 11.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.291 -0.413 . . . . 0.3 111.91 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -80.82 -36.33 15.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.695 0.284 . . . . 0.37 111.101 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.583 HD13 ' HA ' ' A' ' 85' ' ' SER . 12.4 mt 55.64 68.93 2.13 Favored Pre-proline 0 C--O 1.236 0.347 0 CA-C-O 121.309 0.576 . . . . 0.41 110.083 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -80.38 113.19 2.86 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 123.395 2.73 . . . . 0.48 113.326 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.51 ' HG2' ' HA ' ' A' ' 82' ' ' ALA . 40.8 mtp -92.68 -23.32 19.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.096 -0.502 . . . . 1.66 111.075 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -119.13 164.12 16.03 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.246 -0.433 . . . . 2.68 110.891 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.97 -33.12 73.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.475 -0.33 . . . . 2.68 111.672 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -38.16 89.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.238 0.542 . . . . 1.02 110.508 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.82 -26.83 63.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.375 -0.829 . . . . 0.62 109.967 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.427 ' HD1' ' HA ' ' A' ' 60' ' ' PHE . 1.2 m-30 -67.57 -23.81 65.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.741 -0.663 . . . . 0.46 110.653 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.73 -27.03 68.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.449 -0.341 . . . . 0.67 110.955 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.26 -4.15 54.64 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.384 -0.371 . . . . 1.13 111.821 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.428 HD22 ' HB2' ' A' ' 48' ' ' LYS . 1.4 mt -79.02 -11.76 60.01 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.725 0.774 . . . . 0.68 108.988 177.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.42 -99.39 0.79 Allowed Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 110.326 -1.11 . . . . 1.61 110.326 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -153.72 75.58 1.04 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.055 -0.35 . . . . 2.55 110.055 178.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.463 HG11 ' HE2' ' A' ' 74' ' ' PHE . 13.6 m -69.8 138.18 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.629 -0.428 . . . . 0.89 110.331 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.496 ' HB2' ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -70.24 159.92 33.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.226 -0.443 . . . . 2.42 110.095 179.812 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.32 -32.4 71.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.97 -0.559 . . . . 1.72 110.621 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -28.77 67.15 Favored 'General case' 0 C--O 1.23 0.077 0 N-CA-C 109.679 -0.489 . . . . 1.97 109.679 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.584 ' HE2' ' HG2' ' A' ' 42' ' ' PRO . 3.2 m-85 -75.12 -33.37 61.56 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 109.008 -0.738 . . . . 1.29 109.008 177.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 -64.07 -31.75 73.05 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.401 -0.818 . . . . 2.55 110.92 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.721 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -63.22 -65.94 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.109 -0.496 . . . . 4.38 111.589 -179.838 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.679 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -69.26 -4.06 16.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.18 0.514 . . . . 1.44 110.645 179.809 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.463 ' HE2' HG11 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -68.31 -38.86 82.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.782 -0.645 . . . . 0.36 110.98 178.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.721 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 6.1 pttt -63.89 -24.81 67.88 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.941 -0.572 . . . . 1.72 111.372 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.679 ' CD2' ' HA ' ' A' ' 73' ' ' ARG . 12.0 m-85 -77.92 -10.63 59.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.016 0.436 . . . . 0.99 110.198 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.741 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.1 OUTLIER -101.46 -17.45 16.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.4 -0.818 . . . . 0.27 110.375 179.456 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -29.61 67.55 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.582 -0.736 . . . . 1.37 112.238 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.2 77.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.117 0.484 . . . . 0.56 110.712 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.97 -43.12 11.98 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.066 -0.516 . . . . 0.53 111.845 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 77' ' ' PHE . 56.5 mt -59.3 -39.02 77.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.092 -0.504 . . . . 0.55 110.683 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.51 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -65.66 -44.22 87.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.525 -0.307 . . . . 0.53 111.206 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.46 -44.99 89.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.092 0.472 . . . . 1.4 110.523 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.592 HD13 HG23 ' A' ' 18' ' ' THR . 5.7 mt -68.51 -33.32 73.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.128 -0.487 . . . . 0.48 111.356 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.583 ' HA ' HD13 ' A' ' 53' ' ' LEU . 3.3 t -73.24 -25.61 60.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.419 0.628 . . . . 1.37 109.983 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -77.34 -54.73 6.1 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.487 -0.778 . . . . 3.07 110.573 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.494 0 N-CA-C 113.539 0.94 . . . . 2.78 113.539 -178.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.173 0 N-CA-C 108.697 -0.853 . . . . 2.24 108.697 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.878 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -56.41 -26.77 54.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.431 -1.258 . . . . 0.91 110.592 178.704 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.4 -39.29 79.3 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.699 -0.682 . . . . 3.67 110.36 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -35.61 70.98 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.317 -0.401 . . . . 2.93 110.23 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.72 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.5 m -60.83 -52.12 66.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.819 -0.628 . . . . 0.38 109.843 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -64.44 -38.77 92.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.032 -0.986 . . . . 0.61 110.662 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -66.5 -44.92 81.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.545 -0.298 . . . . 2.35 111.369 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -32.73 74.2 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.974 0.416 . . . . 3.57 110.189 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.721 ' HB3' HD22 ' A' ' 46' ' ' LEU . 5.3 mt -72.03 -36.41 69.65 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.657 -0.497 . . . . 0.33 109.657 178.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -69.71 -37.48 76.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.412 -0.588 . . . . 3.33 109.412 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -70.66 -37.34 73.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.305 -0.861 . . . . 2.36 110.42 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.556 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -75.89 -37.03 59.26 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.212 -0.662 . . . . 0.28 109.212 -179.786 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.625 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -63.97 -32.21 73.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.523 -0.762 . . . . 0.86 110.349 179.209 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.38 -33.02 49.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.006 -0.543 . . . . 0.6 110.195 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -73.78 -60.2 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.772 -0.649 . . . . 1.31 111.447 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.546 HD11 HD13 ' A' ' 25' ' ' LEU . 9.0 mt -61.61 -36.48 80.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.779 0.323 . . . . 0.49 110.808 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.91 -27.98 72.87 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.777 -0.725 . . . . 0.65 113.214 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.99 -14.06 19.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.213 0.53 . . . . 1.94 110.37 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -90.18 -4.98 56.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.16 0.505 . . . . 3.82 110.85 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.9 ttp -93.48 160.4 14.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.0 -0.545 . . . . 1.84 110.556 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 60.4 t -127.84 112.86 20.49 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.474 -0.33 . . . . 1.87 110.642 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 71.9 Cg_endo -80.13 160.88 85.68 Favored 'Cis proline' 0 C--O 1.237 0.453 0 C-N-CA 122.945 -1.69 . . . . 1.86 111.722 -0.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -52.54 126.61 21.39 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.329 2.02 . . . . 1.42 111.726 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.422 HG23 ' H ' ' A' ' 37' ' ' VAL . 2.4 t -69.07 -43.81 81.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.334 -0.848 . . . . 2.02 111.12 -179.127 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.3 -67.74 3.57 Favored Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 110.677 -0.969 . . . . 1.27 110.677 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -102.87 60.34 0.79 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.155 0.502 . . . . 2.13 109.738 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.625 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 9.4 t80 -38.5 -79.96 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.86 -1.063 . . . . 0.52 111.607 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.629 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -108.35 126.62 29.19 Favored Pre-proline 0 N--CA 1.442 -0.834 0 N-CA-C 108.802 -0.814 . . . . 0.28 108.802 178.51 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.434 ' HG2' ' HE1' ' A' ' 70' ' ' TYR . 37.5 Cg_exo -58.48 144.68 96.58 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.719 2.279 . . . . 0.29 112.539 -179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.41 -38.84 60.01 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.788 -0.642 . . . . 1.51 111.184 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.538 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -62.3 -43.21 99.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.57 111.111 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.554 ' O ' ' HB3' ' A' ' 49' ' ' MET . 16.2 mm -72.06 -37.18 59.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.34 110.978 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.721 HD22 ' HB3' ' A' ' 22' ' ' LEU . 45.8 mt -64.16 -37.17 86.51 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.028 0.442 . . . . 0.26 110.707 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -67.44 -50.63 58.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.025 -0.534 . . . . 0.97 112.027 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -69.69 -39.87 76.67 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.612 -0.435 . . . . 0.77 111.621 -179.117 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.554 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -65.48 -31.13 72.04 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.662 -0.245 . . . . 1.07 110.86 -179.348 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.98 -30.4 55.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.989 0.423 . . . . 0.22 110.734 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.878 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -79.93 -40.62 27.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.882 -0.599 . . . . 0.3 112.093 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.433 HG12 ' HB ' ' A' ' 62' ' ' THR . 1.1 mp -87.49 -35.78 8.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.547 -0.297 . . . . 0.37 111.38 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.631 HD13 ' HA ' ' A' ' 85' ' ' SER . 10.5 mt 52.7 69.26 2.46 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 115.81 -0.632 . . . . 0.41 111.328 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.56 110.67 2.68 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.741 2.961 . . . . 0.48 112.371 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 22.1 mtp -77.2 -18.37 57.79 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.393 0.516 . . . . 1.66 112.393 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -142.08 172.76 12.24 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.752 -0.379 . . . . 2.68 111.294 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.453 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 1.1 t70 -58.97 -39.36 81.49 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.914 -0.585 . . . . 2.68 111.98 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -39.38 90.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.038 0.447 . . . . 1.02 110.47 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.23 -25.89 66.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.808 -0.633 . . . . 0.62 110.337 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.453 ' HD2' ' HA ' ' A' ' 57' ' ' ASP . 3.8 m-85 -64.97 -21.97 66.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.589 -0.732 . . . . 0.46 111.469 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.75 -27.0 48.51 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.608 0.596 . . . . 0.67 112.608 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.433 ' HB ' HG12 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -77.14 -0.72 25.96 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.202 0.445 . . . . 1.13 112.202 179.816 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.0 mt -87.4 9.39 20.83 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.86 -0.792 . . . . 0.68 108.86 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.58 -78.71 1.89 Allowed Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 110.974 -0.85 . . . . 1.61 110.974 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.89 111.92 1.0 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.654 0.264 . . . . 2.55 110.712 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.2 m -107.71 114.85 47.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.121 0.486 . . . . 0.89 110.014 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.528 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 12.1 mt-10 -59.16 161.41 5.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.803 -0.635 . . . . 2.42 111.47 -178.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -36.5 70.12 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.049 0.452 . . . . 1.72 109.849 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.475 ' HA ' ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -61.97 -26.01 67.96 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.929 -0.578 . . . . 1.97 110.85 179.074 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.528 ' CD2' ' HB2' ' A' ' 67' ' ' GLU . 57.1 m-85 -87.12 -33.4 19.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.372 -0.376 . . . . 1.29 110.992 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.494 ' O ' ' HB2' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -63.93 -34.16 77.35 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-N 116.236 -0.438 . . . . 2.55 111.24 -179.697 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.565 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 6.8 mtt180 -59.55 -40.75 88.25 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 120.748 -0.381 . . . . 4.38 110.833 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.57 ' HA ' ' HD2' ' A' ' 76' ' ' TYR . 3.9 mpt_? -80.73 -7.18 59.28 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 120.367 -0.533 . . . . 1.44 110.484 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.494 ' HB2' ' O ' ' A' ' 71' ' ' ARG . 0.3 OUTLIER -76.52 -34.35 58.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.519 -0.764 . . . . 0.36 110.459 179.494 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 13.4 pttt -63.77 -22.84 67.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 1.72 110.228 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.57 ' HD2' ' HA ' ' A' ' 73' ' ' ARG . 44.1 m-85 -87.54 -7.15 57.91 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.286 -0.415 . . . . 0.99 110.774 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.629 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 3.0 m-85 -113.89 -16.05 12.27 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.378 0.51 . . . . 0.27 112.378 -178.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.445 ' HA ' HD12 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -51.24 -35.36 36.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.161 0.8 . . . . 1.37 113.161 -177.399 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.6 -35.67 77.66 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.455 0.645 . . . . 0.56 110.486 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.55 -43.71 30.98 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.603 -0.726 . . . . 0.53 111.26 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 77' ' ' PHE . 12.3 mt -60.65 -37.97 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 116.058 -0.519 . . . . 0.55 110.16 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.83 -42.58 85.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.009 -0.542 . . . . 0.53 111.008 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.1 -51.45 63.92 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.736 -0.665 . . . . 1.4 110.842 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.72 HD22 ' HA ' ' A' ' 18' ' ' THR . 9.6 mt -65.64 -28.33 69.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.724 0.268 . . . . 0.48 111.724 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.631 ' HA ' HD13 ' A' ' 53' ' ' LEU . 2.7 t -73.18 -31.14 64.03 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.521 -0.548 . . . . 1.37 109.521 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.61 -30.03 62.73 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 108.731 -0.84 . . . . 3.07 108.731 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.489 ' HG3' ' HA ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.389 0 CA-C-N 115.652 -0.704 . . . . 2.78 109.604 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.765 0.317 . . . . 2.24 110.376 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -33.53 69.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.204 0.526 . . . . 0.91 110.08 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.53 ' NH1' ' HB2' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -63.9 -37.92 89.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.298 -0.865 . . . . 3.67 110.451 179.331 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -43.59 96.35 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 120.958 0.409 . . . . 2.93 110.147 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.711 HG23 HD13 ' A' ' 84' ' ' LEU . 13.2 m -62.99 -50.15 71.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.545 -0.752 . . . . 0.38 110.791 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -59.56 -35.84 75.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.401 -0.818 . . . . 0.61 111.444 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.53 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 17.6 tp10 -66.48 -50.56 62.9 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.259 -0.428 . . . . 2.35 111.411 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -61.95 -32.27 72.68 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.818 0.342 . . . . 3.57 110.767 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.58 ' HB3' HD22 ' A' ' 46' ' ' LEU . 5.8 mt -73.14 -38.09 66.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.837 -0.619 . . . . 0.33 110.524 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -69.34 -40.76 77.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.343 -0.389 . . . . 3.33 110.341 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.01 -36.8 80.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.285 0.564 . . . . 2.36 110.059 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.541 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -72.57 -35.01 67.86 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.996 -0.547 . . . . 0.28 109.651 179.551 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.704 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -66.11 -33.19 75.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.684 -0.689 . . . . 0.86 110.424 179.695 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 mp -81.66 -32.2 31.92 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.603 -0.517 . . . . 0.6 109.603 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.76 -61.27 2.05 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.697 -0.683 . . . . 1.31 110.945 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.1 mt -68.49 -32.97 73.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.49 109.957 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.462 ' HA2' HG23 ' A' ' 37' ' ' VAL . . . -63.24 -44.52 96.91 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.579 -0.737 . . . . 0.65 113.447 -179.101 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -82.69 -12.5 57.54 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 117.677 0.738 . . . . 1.94 111.412 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 32' ' ' ARG . 3.0 ttm105 -91.05 -3.9 56.8 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.213 0.53 . . . . 3.82 110.065 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.4 ttm -92.23 156.11 17.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.912 -0.585 . . . . 1.84 109.881 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.7 t -131.72 113.93 15.35 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.616 -0.265 . . . . 1.87 110.471 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.06 150.61 95.96 Favored 'Cis proline' 0 C--O 1.238 0.51 0 C-N-CA 123.401 -1.499 . . . . 1.86 112.398 0.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.61 137.25 80.38 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.674 2.25 . . . . 1.42 112.373 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.462 HG23 ' HA2' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -91.61 118.13 36.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.51 -0.768 . . . . 2.02 110.751 -179.574 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.59 -21.24 79.66 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.404 -0.903 . . . . 1.27 111.205 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -140.54 75.59 1.51 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.558 -0.534 . . . . 2.13 109.558 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.704 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 34.2 t80 -48.59 -56.66 7.79 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 108.842 -0.799 . . . . 0.52 108.842 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.677 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 5.0 tpp -130.23 125.37 21.79 Favored Pre-proline 0 N--CA 1.445 -0.721 0 N-CA-C 107.498 -1.297 . . . . 0.28 107.498 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.47 ' HG2' ' HE1' ' A' ' 70' ' ' TYR . 37.2 Cg_exo -61.13 140.29 88.54 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.0 1.8 . . . . 0.29 112.289 -178.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.577 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.1 p-10 -50.35 -38.43 42.13 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.386 -0.37 . . . . 1.51 111.925 -179.204 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -60.83 -41.35 95.58 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.167 0.508 . . . . 0.57 110.92 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.442 ' O ' ' HB3' ' A' ' 49' ' ' MET . 6.0 mm -77.17 -37.36 25.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.909 -0.587 . . . . 0.34 110.274 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.868 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 47.9 mt -59.75 -35.15 73.99 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.877 0.37 . . . . 0.26 110.167 179.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 3.4 mttt -73.91 -44.84 53.85 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.071 -0.513 . . . . 0.97 112.294 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 44' ' ' SER . 4.9 ptpt -70.57 -39.19 74.04 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 119.515 -0.874 . . . . 0.77 110.507 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.868 ' SD ' ' HA ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -66.58 -31.93 72.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.307 -0.406 . . . . 1.07 110.437 179.197 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.433 ' N ' ' HG2' ' A' ' 49' ' ' MET . . . -76.83 -30.88 56.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.22 111.726 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.67 -40.73 33.16 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.075 0.398 . . . . 0.3 112.075 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -89.51 -42.19 14.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.616 -0.266 . . . . 0.37 111.484 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 53' ' ' LEU . 14.9 mt 54.94 75.4 0.61 Allowed Pre-proline 0 C--N 1.328 -0.345 0 O-C-N 123.797 0.686 . . . . 0.41 109.85 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.461 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 1.8 Cg_endo -79.01 112.98 3.17 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.752 2.301 . . . . 0.48 112.537 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.524 ' SD ' ' HB3' ' A' ' 85' ' ' SER . 72.0 mtp -91.8 12.28 21.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.988 -0.551 . . . . 1.66 110.679 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -143.12 149.57 38.29 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.806 -0.634 . . . . 2.68 110.413 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -34.67 78.87 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.535 0.522 . . . . 2.68 110.915 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.28 -37.44 77.85 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.786 -0.82 . . . . 1.02 108.786 178.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.93 -30.09 71.06 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 115.124 -0.944 . . . . 0.62 110.7 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.461 ' CD1' ' HG2' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -57.48 -25.22 59.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.779 -0.646 . . . . 0.46 111.257 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.84 -22.53 64.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.67 111.654 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.5 p -66.23 -16.63 64.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.761 0.315 . . . . 1.13 111.752 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.3 mt -84.04 -5.8 59.3 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.007 0.432 . . . . 0.68 109.906 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.24 -152.75 17.49 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.305 -1.118 . . . . 1.61 110.305 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.55 69.54 1.24 Allowed 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 117.21 0.505 . . . . 2.55 110.055 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.4 m -55.45 136.11 18.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.019 -0.537 . . . . 0.89 110.945 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.676 ' H ' ' HD2' ' A' ' 70' ' ' TYR . 4.2 mt-10 -77.38 163.96 25.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.592 -0.731 . . . . 2.42 110.19 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -58.17 -32.82 68.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.052 0.453 . . . . 1.72 110.12 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' A' ' 72' ' ' ARG . 2.9 pttt -61.05 -27.29 68.23 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.793 -0.64 . . . . 1.97 110.666 178.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.676 ' HD2' ' H ' ' A' ' 67' ' ' GLU . 75.9 m-85 -87.36 -33.95 18.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.051 0.453 . . . . 1.29 109.802 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.521 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 5.9 mmm180 -63.5 -33.36 75.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.194 -0.912 . . . . 2.55 111.248 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.684 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 50.9 mtp180 -54.27 -55.24 30.19 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-O 121.079 0.466 . . . . 4.38 110.793 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.599 ' HA ' ' HD2' ' A' ' 76' ' ' TYR . 4.3 mpt_? -75.2 -8.61 57.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.731 -0.668 . . . . 1.44 110.932 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.521 ' HB2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -72.76 -37.7 67.56 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.688 -0.687 . . . . 0.36 110.433 179.02 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.684 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 7.0 pttt -67.74 -22.09 65.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.173 -0.467 . . . . 1.72 110.521 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.599 ' HD2' ' HA ' ' A' ' 73' ' ' ARG . 20.5 m-85 -89.73 -4.56 57.64 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.93 0.395 . . . . 0.99 110.7 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.677 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 1.3 m-85 -112.59 -13.81 13.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.861 -0.609 . . . . 0.27 112.145 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.12 -29.29 44.43 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 114.087 1.143 . . . . 1.37 114.087 -177.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.81 -34.85 51.91 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.764 -0.585 . . . . 0.56 111.146 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.81 -48.94 13.81 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.79 -0.641 . . . . 0.53 110.754 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 97.9 mt -57.15 -38.68 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.327 -0.397 . . . . 0.55 110.875 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -70.18 -46.91 63.65 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.01 0.433 . . . . 0.53 110.408 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.989 ' HA ' ' HD3' ' A' ' 86' ' ' LYS . 27.8 t0 -61.21 -42.59 98.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.882 -0.599 . . . . 1.4 111.643 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.711 HD13 HG23 ' A' ' 18' ' ' THR . 18.3 mt -59.81 -29.59 68.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.55 -0.296 . . . . 0.48 111.399 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.524 ' HB3' ' SD ' ' A' ' 55' ' ' MET . 3.5 t -78.84 -29.05 44.41 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.84 -0.43 . . . . 1.37 109.84 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.989 ' HD3' ' HA ' ' A' ' 83' ' ' ASP . 1.1 mtpm? -69.82 -42.85 73.09 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.366 -0.605 . . . . 3.07 109.366 178.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.213 0 CA-C-N 115.755 -0.657 . . . . 2.78 109.953 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.234 0 N-CA-C 110.53 -0.174 . . . . 2.24 110.53 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.531 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -61.34 -31.27 71.14 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.236 0.541 . . . . 0.91 109.963 178.784 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 16' ' ' ARG . 29.2 ttp180 -65.35 -38.56 90.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.77 -0.65 . . . . 3.67 109.499 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 ttt -68.38 -35.5 77.8 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 121.445 0.641 . . . . 2.93 109.512 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.584 HG23 HD13 ' A' ' 84' ' ' LEU . 31.1 m -63.67 -47.65 80.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.481 -0.781 . . . . 0.38 109.771 178.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -65.48 -43.98 88.53 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.674 -0.694 . . . . 0.61 110.899 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.75 -39.1 93.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.406 -0.361 . . . . 2.35 111.119 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.527 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -65.23 -31.06 72.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.208 0.528 . . . . 3.57 109.712 178.789 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.934 ' HB3' HD22 ' A' ' 46' ' ' LEU . 4.8 mt -74.87 -36.73 62.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.46 -0.791 . . . . 0.33 110.496 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 23' ' ' ARG . 3.5 ttt180 -73.75 -39.92 63.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.075 0.464 . . . . 3.33 109.885 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -67.04 -35.15 79.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.169 -0.469 . . . . 2.36 109.82 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.552 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -75.55 -33.53 60.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.576 -0.738 . . . . 0.28 109.238 178.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.64 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -68.84 -39.05 80.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.877 -0.601 . . . . 0.86 110.627 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mp -76.67 -30.79 56.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.167 0.508 . . . . 0.6 110.234 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -74.85 -57.42 3.92 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.89 -0.596 . . . . 1.31 110.905 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.614 HD13 ' HB3' ' A' ' 76' ' ' TYR . 62.1 mt -61.14 -38.36 86.13 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.49 110.899 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.589 ' O ' ' HA ' ' A' ' 36' ' ' PRO . . . -63.73 -47.4 86.85 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.307 -0.949 . . . . 0.65 111.137 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.527 ' HA ' ' HB3' ' A' ' 36' ' ' PRO . 63.8 t30 -70.54 -11.89 61.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.386 0.612 . . . . 1.94 109.821 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 32' ' ' ARG . 3.1 ttp180 -92.27 -3.41 55.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.257 -0.883 . . . . 3.82 109.9 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.79 165.41 11.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.858 -0.61 . . . . 1.84 110.212 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 43.2 t -131.37 111.73 15.33 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 110.352 -0.24 . . . . 1.87 110.352 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 66.0 Cg_endo -76.96 155.52 97.48 Favored 'Cis proline' 0 C--O 1.237 0.465 0 C-N-CA 123.191 -1.587 . . . . 1.86 111.838 0.057 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.589 ' HA ' ' O ' ' A' ' 30' ' ' GLY . 14.0 Cg_endo -57.2 129.59 35.02 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.622 2.215 . . . . 1.42 112.673 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.412 ' O ' ' HA3' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -98.49 104.67 16.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.271 -0.877 . . . . 2.02 109.933 -179.872 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.59 -26.31 74.62 Favored Glycine 0 C--O 1.227 -0.317 0 CA-C-N 116.046 -0.524 . . . . 1.27 111.928 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -112.14 49.47 0.91 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.415 0.626 . . . . 2.13 109.566 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.64 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 28.6 t80 -42.3 -51.69 4.74 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.065 -0.97 . . . . 0.52 110.675 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.602 ' HB3' HD21 ' A' ' 46' ' ' LEU . 7.8 tpp -136.23 121.28 13.17 Favored Pre-proline 0 N--CA 1.444 -0.764 0 N-CA-C 107.823 -1.177 . . . . 0.28 107.823 177.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.45 146.1 75.96 Favored 'Trans proline' 0 N--CA 1.471 0.165 0 C-N-CA 123.159 2.573 . . . . 0.29 112.956 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -52.14 -39.87 60.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.948 -0.569 . . . . 1.51 111.194 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.642 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -62.88 -42.37 99.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.305 -0.407 . . . . 0.57 111.153 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.422 ' O ' ' HB3' ' A' ' 49' ' ' MET . 7.1 mm -73.05 -37.07 52.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.34 111.014 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.934 HD22 ' HB3' ' A' ' 22' ' ' LEU . 83.3 mt -61.64 -38.03 86.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.515 -0.311 . . . . 0.26 110.355 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -68.99 -47.75 64.78 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.889 0.7 . . . . 0.97 112.889 -178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.642 ' HG2' ' O ' ' A' ' 44' ' ' SER . 8.1 ptpt -68.12 -41.44 81.72 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.149 0.499 . . . . 0.77 110.872 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.424 ' CE ' ' HE1' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -65.89 -30.01 70.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.847 -0.615 . . . . 1.07 110.593 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.87 -29.31 44.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.974 0.416 . . . . 0.22 111.29 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.531 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -80.39 -45.52 17.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.172 -0.467 . . . . 0.3 112.172 -179.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -81.89 -36.5 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.954 0.407 . . . . 0.37 110.776 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.622 HD13 ' HA ' ' A' ' 85' ' ' SER . 12.2 mt 54.83 68.6 2.5 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.232 -0.894 . . . . 0.41 111.94 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.45 ' HD2' HG21 ' A' ' 81' ' ' ILE . 1.4 Cg_endo -80.75 105.46 1.69 Allowed 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.867 2.378 . . . . 0.48 111.176 179.06 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.09 -14.43 62.66 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.457 0.91 . . . . 1.66 113.457 -178.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -155.46 -172.76 4.27 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 122.067 -0.396 . . . . 2.68 110.824 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -68.07 -176.34 0.69 Allowed 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.458 -0.571 . . . . 2.68 109.458 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 m 70.45 -49.28 0.65 Allowed 'General case' 0 CA--C 1.534 0.359 0 O-C-N 123.46 0.475 . . . . 1.02 110.999 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.09 -29.61 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.346 -0.613 . . . . 0.62 109.346 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.97 -26.08 14.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.1 -0.955 . . . . 0.46 112.076 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.13 -23.11 65.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.325 -0.398 . . . . 0.67 111.962 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.0 p -72.69 -11.86 60.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.837 0.31 . . . . 1.13 111.837 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.0 mt -75.67 -8.67 57.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.955 0.407 . . . . 0.68 110.085 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.5 -110.63 2.63 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.557 -0.83 . . . . 1.61 111.416 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.97 71.01 1.46 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.842 0.353 . . . . 2.55 111.234 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.436 HG23 ' HD2' ' A' ' 71' ' ' ARG . 27.2 m -72.68 129.21 35.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 120.134 -0.626 . . . . 0.89 109.8 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.95 160.64 23.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.972 -0.558 . . . . 2.42 110.264 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.408 ' O ' ' HD3' ' A' ' 72' ' ' ARG . 30.6 t70 -60.07 -34.37 73.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.733 -0.667 . . . . 1.72 109.473 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -63.61 -28.94 70.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.518 -0.765 . . . . 1.97 109.873 178.482 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.461 ' N ' ' HG2' ' A' ' 69' ' ' LYS . 69.0 m-85 -78.61 -36.77 43.71 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.534 -0.543 . . . . 1.29 109.534 178.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.457 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -62.91 -35.15 79.11 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.627 0.58 . . . . 2.55 109.726 178.399 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.535 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -56.92 -67.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.254 -0.885 . . . . 4.38 112.035 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -3.82 33.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.255 0.55 . . . . 1.44 110.638 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.457 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -61.93 -35.13 77.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.789 -0.641 . . . . 0.36 110.18 179.014 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -55.57 -23.65 28.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.617 -0.72 . . . . 1.72 112.455 -179.646 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.614 ' HB3' HD13 ' A' ' 29' ' ' LEU . 62.5 m-85 -76.93 -8.26 57.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.546 0.212 . . . . 0.99 111.244 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.59 ' CE1' HD23 ' A' ' 22' ' ' LEU . 8.9 m-85 -112.89 -17.21 12.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.275 -0.421 . . . . 0.27 110.882 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -31.25 18.88 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 114.457 1.28 . . . . 1.37 114.457 -177.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.55 -32.92 28.34 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.156 -0.618 . . . . 0.56 110.521 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.65 -45.79 50.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.582 -0.736 . . . . 0.53 111.019 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 77' ' ' PHE . 8.1 mt -60.32 -38.31 77.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.194 0.521 . . . . 0.55 110.08 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.33 -46.81 78.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.909 -0.587 . . . . 0.53 110.477 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -42.52 93.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.867 -0.606 . . . . 1.4 110.529 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.584 HD13 HG23 ' A' ' 18' ' ' THR . 16.3 mt -63.19 -31.36 72.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.48 110.868 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.622 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -72.31 -31.17 65.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.902 -0.59 . . . . 1.37 111.055 -179.717 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -84.79 -24.52 28.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.887 0.375 . . . . 3.07 110.967 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp . . . . . 0 C--N 1.324 -0.502 0 CA-C-O 121.178 0.513 . . . . 2.78 109.85 179.815 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.182 -0.303 . . . . 2.24 110.182 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -38.11 89.4 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.132 0.491 . . . . 0.91 109.947 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -67.98 -39.9 83.19 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.935 -0.575 . . . . 3.67 110.024 178.893 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.3 tmm? -61.74 -41.28 97.45 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.384 0.611 . . . . 2.93 109.956 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.635 HG23 HD13 ' A' ' 84' ' ' LEU . 7.4 m -63.94 -44.49 92.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.029 -0.987 . . . . 0.38 109.809 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -66.32 -41.58 89.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.61 110.574 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.4 -46.47 88.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 2.35 110.918 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -64.36 -34.9 79.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.501 -0.318 . . . . 3.57 110.718 179.562 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.646 HD23 ' CE1' ' A' ' 77' ' ' PHE . 2.8 mt -72.24 -40.28 67.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.498 -0.319 . . . . 0.33 110.71 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -40.86 89.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.814 0.34 . . . . 3.33 110.832 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.73 -34.53 75.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.935 0.398 . . . . 2.36 110.202 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.668 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -73.35 -34.87 65.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.81 -0.632 . . . . 0.28 110.164 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.674 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 51.0 m -64.67 -36.54 84.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.13 0.49 . . . . 0.86 110.487 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.92 -33.12 63.85 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.936 -0.575 . . . . 0.6 110.898 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -78.2 -53.35 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.944 -0.571 . . . . 1.31 112.04 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.668 ' HG ' HD22 ' A' ' 25' ' ' LEU . 93.8 mt -64.12 -32.94 74.69 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.692 0.282 . . . . 0.49 111.11 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.03 -33.61 79.96 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.947 -0.644 . . . . 0.65 113.075 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -99.76 -11.57 20.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 117.074 0.437 . . . . 1.94 110.339 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.456 HH11 ' HD3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -93.62 -2.67 53.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.909 0.385 . . . . 3.82 110.913 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.6 159.36 15.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.196 -0.457 . . . . 1.84 110.853 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 3.3 t -122.79 108.26 33.05 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.46 -0.336 . . . . 1.87 110.587 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 74.5 Cg_endo -84.97 168.6 51.61 Favored 'Cis proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.975 -1.26 . . . . 1.86 111.662 -0.288 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -52.04 138.32 53.1 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.918 2.412 . . . . 1.42 112.481 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.4 t -92.82 -30.05 4.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.842 -0.617 . . . . 2.02 111.929 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.77 -77.19 1.49 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.263 -0.97 . . . . 1.27 110.809 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -102.49 73.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.334 -0.617 . . . . 2.13 109.334 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.674 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 8.1 t80 -43.69 -75.47 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 114.853 -1.067 . . . . 0.52 111.939 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.724 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -117.43 132.41 23.57 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.388 -0.597 . . . . 0.28 109.388 179.524 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 41' ' ' MET . 8.2 Cg_exo -71.48 146.91 51.03 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 122.616 2.211 . . . . 0.29 111.533 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.524 ' HA ' HD12 ' A' ' 46' ' ' LEU . 2.2 t70 -48.46 -40.99 28.26 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.776 0.673 . . . . 1.51 111.819 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -48.97 79.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.468 . . . . 0.57 111.444 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 49' ' ' MET . 31.4 mm -69.78 -35.73 66.59 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 CA-C-N 116.282 -0.417 . . . . 0.34 111.105 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 22' ' ' LEU . 20.7 mt -62.56 -37.46 86.23 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.409 -0.36 . . . . 0.26 110.839 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -68.96 -52.02 33.48 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.177 0.436 . . . . 0.97 112.177 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.479 ' HG3' HD22 ' A' ' 63' ' ' LEU . 4.7 ptpt -64.15 -42.26 96.83 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.906 0.384 . . . . 0.77 111.041 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.526 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -65.47 -30.43 71.21 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.142 -0.481 . . . . 1.07 110.836 -179.707 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.14 -30.51 43.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.78 0.324 . . . . 0.22 111.4 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.24 -40.73 23.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.298 -0.41 . . . . 0.3 111.383 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 mp -88.53 -34.82 7.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 CA-C-N 116.574 -0.284 . . . . 0.37 111.465 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 85' ' ' SER . 12.4 mt 53.37 67.99 3.28 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.754 -0.657 . . . . 0.41 110.421 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.447 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 6.1 Cg_exo -79.03 118.48 4.07 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 123.554 2.836 . . . . 0.48 112.389 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.7 mtp -95.78 -20.05 19.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.602 -0.727 . . . . 1.66 111.247 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -123.84 166.68 15.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.197 0.523 . . . . 2.68 111.666 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -56.81 -45.39 82.31 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.208 -0.906 . . . . 2.68 112.695 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.51 -38.53 71.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.681 0.277 . . . . 1.02 111.665 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.447 ' CB ' ' HB3' ' A' ' 54' ' ' PRO . . . -72.38 -28.61 63.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.217 0.532 . . . . 0.62 111.004 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.447 ' HD1' ' HA ' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -67.13 -25.64 66.28 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.679 -0.408 . . . . 0.46 110.747 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.22 -26.93 64.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.67 110.785 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.85 0.23 28.0 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.987 -0.285 . . . . 1.13 111.456 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.479 HD22 ' HG3' ' A' ' 48' ' ' LYS . 35.8 mt -83.82 21.1 1.34 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.775 -0.454 . . . . 0.68 109.775 178.003 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.86 32.25 37.16 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.551 -1.02 . . . . 1.61 110.551 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 56.67 82.11 0.12 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.408 0.683 . . . . 2.55 111.645 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.515 HG12 HD12 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -65.65 138.02 23.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 115.568 -0.742 . . . . 0.89 110.606 179.463 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.5 146.19 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.938 -0.574 . . . . 2.42 110.242 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -56.34 -35.34 67.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.404 -0.362 . . . . 1.72 111.284 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -66.67 -26.55 67.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.286 -0.416 . . . . 1.97 111.069 179.386 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.406 ' N ' ' HG2' ' A' ' 69' ' ' LYS . 11.3 m-85 -82.9 -33.06 27.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 1.29 110.098 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.537 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 37.5 mtm-85 -68.42 -34.16 75.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.716 -0.674 . . . . 2.55 110.958 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -54.22 49.45 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 112.604 0.594 . . . . 4.38 112.604 -178.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -85.89 -0.54 55.66 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.27 0.557 . . . . 1.44 109.749 -179.743 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.537 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -58.12 -35.05 70.92 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.33 -0.85 . . . . 0.36 110.664 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.789 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -54.21 -24.37 18.18 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.08 0.77 . . . . 1.72 113.08 -178.81 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.606 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 91.7 m-85 -73.9 -10.31 59.52 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.828 -0.349 . . . . 0.99 110.726 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.724 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.4 OUTLIER -105.99 -12.99 15.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.308 -0.405 . . . . 0.27 111.06 179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.789 ' HD3' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -57.96 -32.84 68.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.983 0.364 . . . . 1.37 111.983 -178.447 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.56 -32.43 72.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.414 0.626 . . . . 0.56 110.427 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.03 -46.56 13.77 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.524 -0.762 . . . . 0.53 111.427 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 77' ' ' PHE . 51.1 mt -58.26 -43.03 85.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.239 -0.437 . . . . 0.55 110.573 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.19 -49.92 75.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.53 111.333 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.12 -43.97 93.66 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.901 -0.59 . . . . 1.4 111.516 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.635 HD13 HG23 ' A' ' 18' ' ' THR . 34.3 mt -67.51 -30.5 70.19 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.652 -0.249 . . . . 0.48 111.46 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.535 ' HA ' HD13 ' A' ' 53' ' ' LEU . 1.3 t -79.18 -30.8 43.65 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.914 -0.402 . . . . 1.37 109.914 179.023 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -73.18 -46.07 52.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.86 -0.609 . . . . 3.07 109.926 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm . . . . . 0 N--CA 1.443 -0.797 0 CA-C-N 116.036 -0.529 . . . . 2.78 111.451 -179.894 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.042 -0.355 . . . . 2.24 110.042 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.81 -36.94 84.8 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.875 -0.417 . . . . 0.91 109.875 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.44 -40.37 67.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.235 0.54 . . . . 3.67 109.743 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 45.5 ttp -60.46 -43.59 96.73 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.391 -0.822 . . . . 2.93 110.178 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.863 HG23 HD13 ' A' ' 84' ' ' LEU . 8.5 m -66.04 -49.42 67.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.365 -0.834 . . . . 0.38 110.241 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -58.48 -44.43 89.35 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.048 -0.524 . . . . 0.61 110.632 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -48.24 82.65 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.007 -0.542 . . . . 2.35 110.681 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.552 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -63.1 -34.13 76.93 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.857 -0.61 . . . . 3.57 110.416 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.863 ' HB3' HD22 ' A' ' 46' ' ' LEU . 5.4 mt -72.75 -36.86 67.81 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.213 -0.449 . . . . 0.33 110.521 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -43.74 68.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.562 -0.29 . . . . 3.33 111.025 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -67.8 -35.18 78.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.399 0.619 . . . . 2.36 110.414 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.552 ' HB2' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -73.22 -43.65 60.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.56 -0.745 . . . . 0.28 109.473 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.587 ' HB2' ' O ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -62.62 -34.13 76.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.108 -0.496 . . . . 0.86 112.164 -179.575 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 mp -78.52 -32.48 48.09 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.981 0.42 . . . . 0.6 110.516 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -71.62 -56.09 6.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.554 -0.748 . . . . 1.31 110.688 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.39 -33.89 76.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.059 -0.519 . . . . 0.49 110.421 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.446 ' HA2' HG23 ' A' ' 37' ' ' VAL . . . -61.51 -46.63 93.93 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.851 -0.613 . . . . 0.65 112.372 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -77.06 -12.99 60.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 1.94 111.051 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -91.75 -6.22 52.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.238 0.542 . . . . 3.82 109.968 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.39 156.68 16.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.46 -0.791 . . . . 1.84 109.712 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.2 t -133.4 119.21 15.19 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.146 -0.316 . . . . 1.87 110.146 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 43.6 Cg_endo -68.74 145.32 76.77 Favored 'Cis proline' 0 C--O 1.235 0.339 0 C-N-CA 123.826 -1.322 . . . . 1.86 112.443 0.092 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' PRO . 68.9 Cg_exo -53.33 128.33 28.78 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.647 2.231 . . . . 1.42 112.334 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.446 HG23 ' HA2' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -89.84 113.12 25.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.673 -0.694 . . . . 2.02 110.182 -179.749 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.82 -26.18 71.02 Favored Glycine 0 C--N 1.334 0.44 0 N-CA-C 109.55 -1.42 . . . . 1.27 109.55 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -137.07 81.46 1.87 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 114.389 -0.905 . . . . 2.13 109.43 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.439 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 39.6 t80 -50.02 -36.14 27.55 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.018 -0.992 . . . . 0.52 109.711 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.664 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 8.5 tpp -142.14 125.69 9.69 Favored Pre-proline 0 N--CA 1.445 -0.7 0 N-CA-C 107.383 -1.34 . . . . 0.28 107.383 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -56.35 141.54 89.0 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 121.784 1.656 . . . . 0.29 112.29 -178.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.64 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -51.4 -35.9 41.11 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.716 0.635 . . . . 1.51 110.499 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.574 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -60.63 -49.62 76.8 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.692 -0.685 . . . . 0.57 110.894 178.74 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.459 ' O ' ' HB3' ' A' ' 49' ' ' MET . 1.2 mm -69.45 -35.81 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 116.428 -0.351 . . . . 0.34 110.35 178.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.863 HD22 ' HB3' ' A' ' 22' ' ' LEU . 56.8 mt -61.04 -37.23 81.88 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.698 0.285 . . . . 0.26 110.379 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -70.49 -51.16 30.97 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.576 0.584 . . . . 0.97 112.576 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -66.47 -38.93 88.41 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.688 -0.405 . . . . 0.77 111.379 -179.371 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.459 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -68.2 -29.92 68.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.15 -0.315 . . . . 1.07 110.15 179.829 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.482 ' HA ' HG21 ' A' ' 18' ' ' THR . . . -79.7 -29.75 40.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.359 -0.382 . . . . 0.22 110.953 178.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.02 -39.6 23.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.396 -0.365 . . . . 0.3 111.698 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -92.05 -39.41 11.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 C-N-CA 120.636 -0.426 . . . . 0.37 111.038 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.408 HD23 HG23 ' A' ' 81' ' ' ILE . 6.8 mt 59.38 73.7 0.65 Allowed Pre-proline 0 C--O 1.234 0.263 0 CA-C-N 115.469 -0.787 . . . . 0.41 110.51 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.46 ' HG2' ' CE1' ' A' ' 60' ' ' PHE . 13.7 Cg_endo -88.32 110.16 0.61 Allowed 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.048 2.499 . . . . 0.48 112.069 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.41 -49.46 9.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.05 -0.523 . . . . 1.66 110.732 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.491 ' ND2' ' H ' ' A' ' 58' ' ' SER . 0.1 OUTLIER -81.76 147.85 29.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.72 -0.673 . . . . 2.68 110.618 -179.642 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.626 ' O ' ' HB2' ' A' ' 60' ' ' PHE . 50.0 m-20 -64.44 -28.91 70.0 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.761 0.652 . . . . 2.68 112.761 -178.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.491 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -69.69 -35.22 74.91 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.911 -0.493 . . . . 1.02 110.718 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.94 -24.64 66.1 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.553 0.692 . . . . 0.62 109.834 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.626 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -59.93 -22.29 62.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.173 -0.922 . . . . 0.46 111.735 179.798 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.2 -27.1 68.74 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.334 0.494 . . . . 0.67 112.334 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.75 -8.05 59.66 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.793 0.33 . . . . 1.13 111.558 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 4.0 mt -74.18 -20.67 60.13 Favored 'General case' 0 N--CA 1.461 0.098 0 N-CA-C 108.371 -0.974 . . . . 0.68 108.371 177.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.67 -127.92 6.34 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.112 -1.195 . . . . 1.61 110.112 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.38 74.17 1.03 Allowed 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 121.033 -0.267 . . . . 2.55 111.522 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 m -71.93 131.18 34.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 N-CA-C 109.469 -0.567 . . . . 0.89 109.469 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.52 ' HB2' ' CD1' ' A' ' 70' ' ' TYR . 1.1 mt-10 -68.35 168.02 13.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.121 0.486 . . . . 2.42 111.673 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.6 -36.22 83.52 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.131 -0.692 . . . . 1.72 109.131 178.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.515 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -66.28 -27.47 67.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.652 -0.703 . . . . 1.97 110.33 178.873 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.52 ' CD1' ' HB2' ' A' ' 67' ' ' GLU . 11.8 m-85 -78.54 -41.12 33.05 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.764 -0.653 . . . . 1.29 109.633 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.453 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 0.8 OUTLIER -63.1 -35.84 81.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.859 -0.61 . . . . 2.55 110.658 179.616 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -56.68 -76.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.861 -0.609 . . . . 4.38 111.44 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -65.1 -6.05 8.07 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.51 -0.768 . . . . 1.44 111.524 -179.324 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.453 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -56.04 -33.25 64.77 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.239 -0.652 . . . . 0.36 109.239 177.862 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.49 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -58.05 -24.82 59.93 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.177 -0.919 . . . . 1.72 111.924 179.72 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -73.24 -12.59 60.91 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.999 0.428 . . . . 0.99 110.475 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.664 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 2.4 m-85 -106.18 -16.33 14.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.483 -0.78 . . . . 0.27 109.597 178.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.49 ' HB2' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -54.25 -32.97 57.42 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.743 0.646 . . . . 1.37 112.743 -178.424 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.16 -34.68 63.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.296 0.57 . . . . 0.56 110.031 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.67 -45.96 34.02 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.407 -0.815 . . . . 0.53 111.004 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 77' ' ' PHE . 22.7 mt -61.01 -25.38 35.9 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 CA-C-N 116.296 -0.411 . . . . 0.55 110.158 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.68 -33.55 53.22 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.111 0.481 . . . . 0.53 111.382 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.29 -45.19 18.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.195 -0.457 . . . . 1.4 110.883 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.863 HD13 HG23 ' A' ' 18' ' ' THR . 9.0 mt -65.72 -29.79 70.37 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.836 0.68 . . . . 0.48 112.836 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 p -72.66 -29.67 63.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.296 0.569 . . . . 1.37 109.68 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.66 -11.43 53.83 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.535 -0.757 . . . . 3.07 110.128 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 115.754 -0.657 . . . . 2.78 110.836 -179.808 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--O 1.231 0.128 0 N-CA-C 111.708 0.262 . . . . 2.24 111.708 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.563 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -62.96 -36.39 83.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.689 -0.232 . . . . 0.91 111.353 -179.413 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -64.34 -38.39 90.87 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.571 -0.529 . . . . 3.67 109.571 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.455 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -70.79 -33.05 70.34 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.82 -0.627 . . . . 2.93 110.087 178.479 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.647 HG23 HD13 ' A' ' 84' ' ' LEU . 25.6 m -63.61 -50.16 70.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.028 0.442 . . . . 0.38 110.194 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -65.12 -42.68 93.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.829 -0.623 . . . . 0.61 110.967 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.64 -37.05 79.39 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.619 -0.264 . . . . 2.35 111.587 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -66.64 -34.63 78.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.202 0.525 . . . . 3.57 109.626 178.795 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.739 ' HB3' HD22 ' A' ' 46' ' ' LEU . 1.7 mt -69.32 -38.26 78.15 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.469 -0.787 . . . . 0.33 109.631 178.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -65.21 -45.88 82.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.664 -0.698 . . . . 3.33 111.183 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -68.38 -34.97 77.0 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.182 -0.463 . . . . 2.36 109.755 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.588 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.2 -35.37 73.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.28 110.397 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.617 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 21.6 m -63.48 -36.26 83.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.13 0.49 . . . . 0.86 110.033 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mp -78.45 -33.85 48.14 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.913 -0.585 . . . . 0.6 110.463 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.445 ' O ' ' HB2' ' A' ' 32' ' ' ARG . 1.1 t-20 -71.3 -58.4 3.57 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.751 -0.659 . . . . 1.31 110.963 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.588 ' HG ' HD22 ' A' ' 25' ' ' LEU . 59.4 mt -63.46 -39.27 94.02 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.49 109.975 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 36' ' ' PRO . . . -59.03 -52.13 55.2 Favored Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.119 -0.946 . . . . 0.65 111.812 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.423 ' HA ' ' HB3' ' A' ' 36' ' ' PRO . 5.5 t-20 -71.63 -14.05 61.94 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.811 0.305 . . . . 1.94 111.208 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -88.33 -4.79 58.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.241 0.543 . . . . 3.82 110.343 179.434 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.52 165.18 12.29 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.694 -0.854 . . . . 1.84 108.694 178.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.2 t -133.98 112.92 12.49 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.983 -0.377 . . . . 1.87 109.983 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -74.24 155.84 99.82 Favored 'Cis proline' 0 C--N 1.346 0.399 0 C-N-CA 122.952 -1.687 . . . . 1.86 112.245 0.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.423 ' HB3' ' HA ' ' A' ' 31' ' ' ASN . 18.7 Cg_endo -59.12 129.59 32.43 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.36 2.04 . . . . 1.42 112.319 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -88.14 120.47 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 115.758 -0.656 . . . . 2.02 110.832 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.59 -26.97 40.49 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 110.16 -1.176 . . . . 1.27 110.16 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -119.85 64.5 0.81 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.793 -0.703 . . . . 2.13 109.797 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.617 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 27.5 t80 -57.36 -49.99 74.39 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.525 -0.761 . . . . 0.52 110.087 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.717 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 37.1 tpp -141.53 127.42 11.07 Favored Pre-proline 0 N--CA 1.449 -0.501 0 N-CA-C 108.558 -0.904 . . . . 0.28 108.558 178.05 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -56.9 141.8 93.22 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.629 2.22 . . . . 0.29 112.63 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.607 ' HA ' HD12 ' A' ' 46' ' ' LEU . 1.4 t0 -50.18 -39.4 43.73 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.426 -0.806 . . . . 1.51 111.419 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -65.36 -46.88 78.43 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.425 -0.807 . . . . 0.57 110.797 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.487 ' O ' ' HB3' ' A' ' 49' ' ' MET . 1.1 mm -67.56 -35.45 73.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.34 111.098 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.739 HD22 ' HB3' ' A' ' 22' ' ' LEU . 29.0 mt -61.94 -34.44 76.11 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.702 -0.481 . . . . 0.26 109.702 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -73.82 -48.77 28.95 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.036 -0.529 . . . . 0.97 112.133 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 44' ' ' SER . 4.0 ptpt -66.24 -38.0 86.85 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.757 -0.377 . . . . 0.77 110.709 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.487 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -71.09 -29.08 64.84 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.237 -0.438 . . . . 1.07 110.695 179.866 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.07 -28.98 48.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.804 0.335 . . . . 0.22 111.157 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.563 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -83.53 -35.67 24.62 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.436 0.532 . . . . 0.3 112.436 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -98.69 -34.03 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 122.381 -0.199 . . . . 0.37 111.455 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.702 HD13 ' HA ' ' A' ' 85' ' ' SER . 29.7 mt 54.46 71.52 1.32 Allowed Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.817 -0.629 . . . . 0.41 111.12 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.24 110.97 2.97 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 123.262 2.641 . . . . 0.48 112.461 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.7 mtp -79.84 -27.36 40.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.336 -0.393 . . . . 1.66 110.849 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -126.92 166.73 16.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.157 -0.474 . . . . 2.68 110.321 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.583 ' HA ' ' HB2' ' A' ' 60' ' ' PHE . 31.9 t70 -64.67 -24.43 67.57 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.96 0.41 . . . . 2.68 111.632 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -36.98 80.63 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.126 0.489 . . . . 1.02 109.811 178.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.04 -28.57 32.39 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.519 0.676 . . . . 0.62 109.714 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.583 ' HB2' ' HA ' ' A' ' 57' ' ' ASP . 1.5 m-85 -62.15 -24.99 67.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.255 -0.884 . . . . 0.46 109.964 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.53 -24.92 64.08 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.654 -0.703 . . . . 0.67 111.263 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.7 8.57 40.43 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.054 0.39 . . . . 1.13 112.054 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.441 HD22 ' HB2' ' A' ' 48' ' ' LYS . 2.2 mt -88.65 17.65 5.31 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.031 0.443 . . . . 0.68 110.276 178.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.73 -104.74 3.21 Favored Glycine 0 N--CA 1.438 -1.227 0 N-CA-C 110.816 -0.914 . . . . 1.61 110.816 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.11 76.4 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.813 0.307 . . . . 2.55 111.824 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.2 m -80.61 127.39 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.134 -0.626 . . . . 0.89 109.841 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HB2' ' HD2' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -73.75 162.23 29.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.812 -0.631 . . . . 2.42 109.818 -179.642 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.641 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 15.8 t70 -58.28 -34.08 70.13 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.885 -0.326 . . . . 1.72 110.27 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.409 ' HA ' ' HG3' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -63.36 -28.52 70.05 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.868 0.365 . . . . 1.97 110.583 179.023 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.442 ' HD2' ' HB2' ' A' ' 67' ' ' GLU . 39.4 m-85 -78.44 -33.44 48.51 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 108.915 -0.772 . . . . 1.29 108.915 178.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.653 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 6.2 mtm-85 -68.48 -31.6 70.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.721 -1.127 . . . . 2.55 110.264 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.641 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 8.6 mmt180 -51.79 -63.86 1.0 Allowed 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.681 -0.691 . . . . 4.38 111.231 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -3.21 50.44 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.901 -0.32 . . . . 1.44 110.919 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.653 ' HB2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -60.22 -35.97 76.63 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.131 0.491 . . . . 0.36 110.144 179.35 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 5.1 ptmt -61.19 -24.97 66.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.265 -0.88 . . . . 1.72 111.328 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.35 -8.62 58.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.836 0.35 . . . . 0.99 110.649 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.717 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.2 OUTLIER -103.73 -13.66 16.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.92 -0.582 . . . . 0.27 110.371 179.166 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -53.7 -34.12 57.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.985 -0.552 . . . . 1.37 112.483 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.12 -32.88 74.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.135 0.493 . . . . 0.56 111.089 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.29 -43.06 14.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.757 -0.656 . . . . 0.53 111.223 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.61 ' O ' ' HB2' ' A' ' 85' ' ' SER . 34.1 mt -59.03 -47.34 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.539 -0.301 . . . . 0.55 110.244 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.53 -44.87 89.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.08 -0.509 . . . . 0.53 111.22 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.81 -55.55 31.72 Favored 'General case' 0 CA--C 1.518 -0.258 0 O-C-N 123.569 0.543 . . . . 1.4 110.846 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.647 HD13 HG23 ' A' ' 18' ' ' THR . 11.0 mt -63.22 -27.85 69.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.615 -0.266 . . . . 0.48 111.459 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.702 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -71.41 -26.71 62.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.744 -0.465 . . . . 1.37 109.744 178.562 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -4.87 59.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.18 0.514 . . . . 3.07 110.037 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.383 -0.826 . . . . 2.78 110.609 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 . . . . . 0 C--O 1.233 0.228 0 CA-C-O 121.232 0.539 . . . . 2.24 110.408 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.822 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -61.64 -28.25 69.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.226 -0.897 . . . . 0.91 111.599 179.766 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -35.08 79.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.882 0.373 . . . . 3.67 110.744 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.8 ttt -68.67 -36.18 78.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.638 -0.71 . . . . 2.93 109.86 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.749 ' HA ' HD22 ' A' ' 84' ' ' LEU . 2.6 m -61.05 -45.93 92.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.77 -0.65 . . . . 0.38 109.519 178.123 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -63.5 -38.76 92.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.546 -0.752 . . . . 0.61 110.457 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.33 -48.29 78.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.186 -0.461 . . . . 2.35 111.355 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.597 ' HG2' HG22 ' A' ' 80' ' ' THR . 0.0 OUTLIER -60.04 -32.16 70.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.104 0.478 . . . . 3.57 110.218 179.577 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.818 ' HB3' HD22 ' A' ' 46' ' ' LEU . 5.1 mt -76.15 -39.81 54.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.913 -0.585 . . . . 0.33 110.719 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -37.98 78.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.367 . . . . 3.33 110.77 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.21 -36.23 69.11 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.416 0.627 . . . . 2.36 110.363 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.545 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -74.88 -37.74 62.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.779 -0.646 . . . . 0.28 109.936 -179.657 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -64.0 -36.68 84.76 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.051 -0.522 . . . . 0.86 111.058 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mp -75.56 -30.31 59.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.358 0.599 . . . . 0.6 109.639 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -72.27 -65.6 0.76 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.44 -0.8 . . . . 1.31 111.634 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.08 -37.1 83.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.076 -0.511 . . . . 0.49 111.591 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.14 -37.52 95.05 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.958 -0.639 . . . . 0.65 113.494 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -95.07 -13.88 24.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 117.082 0.441 . . . . 1.94 111.762 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.615 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -88.7 -9.0 53.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.906 0.86 . . . . 3.82 109.379 179.226 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.21 133.3 36.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.202 -0.908 . . . . 1.84 108.712 177.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.5 t -122.27 121.52 27.78 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.632 -0.507 . . . . 1.87 109.632 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 56.2 Cg_endo -70.5 148.89 89.39 Favored 'Cis proline' 0 C--N 1.345 0.37 0 C-N-CA 123.746 -1.356 . . . . 1.86 112.335 0.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 35' ' ' PRO . 77.2 Cg_exo -54.63 139.42 76.28 Favored 'Trans proline' 0 CA--C 1.516 -0.385 0 C-N-CA 122.731 2.287 . . . . 1.42 112.661 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -71.19 -28.84 33.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.229 -0.896 . . . . 2.02 111.117 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.99 -55.97 4.81 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.77 -0.932 . . . . 1.27 110.77 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.31 82.25 2.0 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.381 -0.6 . . . . 2.13 109.381 178.089 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.694 ' HZ ' ' HB2' ' A' ' 76' ' ' TYR . 26.5 t80 -52.83 -43.25 65.87 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.574 -0.739 . . . . 0.52 110.668 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.595 ' HB3' HD21 ' A' ' 46' ' ' LEU . 6.7 tpp -148.65 117.56 4.01 Favored Pre-proline 0 N--CA 1.44 -0.967 0 N-CA-C 108.096 -1.076 . . . . 0.28 108.096 177.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -57.18 144.19 91.2 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.965 2.443 . . . . 0.29 111.683 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.452 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.8 t70 -49.58 -41.11 40.89 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.319 0.648 . . . . 1.51 111.681 -179.006 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.596 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 15.7 m -62.99 -42.46 99.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.546 -0.297 . . . . 0.57 111.352 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.47 ' O ' ' HB3' ' A' ' 49' ' ' MET . 2.5 mm -71.35 -35.1 56.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 0.34 110.047 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.818 HD22 ' HB3' ' A' ' 22' ' ' LEU . 83.1 mt -61.72 -36.5 81.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.996 -0.547 . . . . 0.26 109.925 178.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -71.82 -45.17 62.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.97 112.124 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 44' ' ' SER . 4.4 ptpt -71.22 -39.22 71.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.962 0.411 . . . . 0.77 111.12 -179.363 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.47 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -68.65 -30.75 69.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.241 -0.436 . . . . 1.07 110.361 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.09 -30.19 49.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 0.22 110.928 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.822 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -83.83 -40.28 18.89 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.189 -0.459 . . . . 0.3 111.908 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.9 mp -88.29 -37.15 10.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 C-N-CA 120.352 -0.539 . . . . 0.37 111.101 -178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.655 HD13 ' HA ' ' A' ' 85' ' ' SER . 22.8 mt 50.57 70.83 1.78 Allowed Pre-proline 0 C--O 1.236 0.352 0 CA-C-O 121.218 0.532 . . . . 0.41 110.334 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.516 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 5.8 Cg_exo -78.99 124.46 6.12 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 123.01 2.473 . . . . 0.48 113.006 -178.38 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -45.6 69.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.629 -0.714 . . . . 1.66 111.147 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.55 -172.99 3.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.22 -0.446 . . . . 2.68 110.509 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.642 ' HA ' ' HB2' ' A' ' 60' ' ' PHE . 17.2 t70 -56.31 -31.08 63.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.995 -0.548 . . . . 2.68 112.455 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -51.54 59.85 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.041 0.448 . . . . 1.02 111.261 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.04 -30.2 39.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.209 -0.45 . . . . 0.62 110.954 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.642 ' HB2' ' HA ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -53.53 -24.46 13.49 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.095 -0.502 . . . . 0.46 112.351 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.82 -25.12 64.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.525 -0.307 . . . . 0.67 111.683 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.3 p -79.19 -1.87 38.33 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.951 0.352 . . . . 1.13 111.951 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.426 HD22 ' HB2' ' A' ' 48' ' ' LYS . 3.1 mt -82.48 -8.21 59.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.899 0.38 . . . . 0.68 110.419 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.23 45.4 3.04 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.383 -0.913 . . . . 1.61 112.38 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 51.09 79.65 0.09 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.285 0.634 . . . . 2.55 112.259 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.8 m -70.91 148.37 10.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.054 -0.521 . . . . 0.89 110.492 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.546 ' HB3' ' HG2' ' A' ' 69' ' ' LYS . 4.9 mt-10 -71.85 152.68 42.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.135 -0.484 . . . . 2.42 110.529 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.594 ' HA ' ' HB2' ' A' ' 71' ' ' ARG . 27.7 t70 -59.34 -34.07 71.91 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.24 -0.436 . . . . 1.72 110.478 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.546 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -62.37 -29.16 70.27 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.918 0.39 . . . . 1.97 110.817 178.912 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.467 ' HD2' ' HB2' ' A' ' 67' ' ' GLU . 73.9 m-85 -88.86 -33.32 17.39 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 108.942 -0.762 . . . . 1.29 108.942 178.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.655 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -63.53 -36.94 85.45 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.539 -1.21 . . . . 2.55 111.522 179.7 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.29 -40.51 62.22 Favored 'General case' 0 N--CA 1.421 -1.909 0 N-CA-C 112.087 0.403 . . . . 4.38 112.087 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -84.06 -1.79 55.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.592 0.711 . . . . 1.44 109.815 -179.654 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.655 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -60.81 -35.58 76.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.854 -1.066 . . . . 0.36 111.123 178.921 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -23.16 17.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.531 -0.759 . . . . 1.72 113.04 -179.028 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.694 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 63.4 m-85 -74.26 -9.44 58.61 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.777 0.322 . . . . 0.99 110.765 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.571 ' CE1' HD23 ' A' ' 22' ' ' LEU . 3.5 m-85 -112.01 -11.57 13.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.208 -0.451 . . . . 0.27 110.492 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.38 -36.79 10.14 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.061 1.134 . . . . 1.37 114.061 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.71 -34.35 52.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.162 0.506 . . . . 0.56 110.819 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.597 HG22 ' HG2' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -73.14 -46.09 53.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.47 -0.786 . . . . 0.53 111.322 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 77' ' ' PHE . 24.5 mt -59.57 -34.74 55.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.308 -0.405 . . . . 0.55 110.256 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.61 -37.1 60.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.53 111.617 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.05 -40.48 75.07 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.943 0.401 . . . . 1.4 110.743 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.749 HD22 ' HA ' ' A' ' 18' ' ' THR . 13.0 mt -76.26 -30.09 57.71 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.899 0.703 . . . . 0.48 112.899 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.655 ' HA ' HD13 ' A' ' 53' ' ' LEU . 4.7 p -71.66 -27.17 62.88 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.915 -0.491 . . . . 1.37 111.474 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.85 -23.17 24.07 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.123 0.416 . . . . 3.07 112.123 -178.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.653 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 N-CA-C 113.457 0.91 . . . . 2.78 113.457 -177.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 120.728 0.299 . . . . 2.24 110.207 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -35.59 76.75 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.5 -0.556 . . . . 0.91 109.5 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -38.14 78.53 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.017 -0.735 . . . . 3.67 109.017 178.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.441 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 1.7 ttt -62.01 -44.45 96.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.447 -0.797 . . . . 2.93 109.824 178.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.581 ' HA ' HD22 ' A' ' 84' ' ' LEU . 22.6 m -65.94 -44.92 83.64 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.022 -0.535 . . . . 0.38 111.103 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.479 ' CE1' ' HG3' ' A' ' 47' ' ' LYS . 9.0 t80 -65.68 -41.18 92.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.461 -0.791 . . . . 0.61 111.207 -179.418 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.489 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 4.5 mm-40 -75.65 -31.04 59.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.405 -0.361 . . . . 2.35 111.577 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 17' ' ' MET . 0.1 OUTLIER -68.83 -32.34 71.97 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.247 -0.649 . . . . 3.57 109.247 178.898 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.762 ' HB3' HD22 ' A' ' 46' ' ' LEU . 2.2 mt -73.64 -34.5 65.0 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.584 -0.735 . . . . 0.33 109.917 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.455 HH11 ' HD2' ' A' ' 23' ' ' ARG . 1.3 ttp180 -69.11 -41.78 76.95 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.27 -0.877 . . . . 3.33 110.362 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -68.2 -38.37 81.9 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.474 0.654 . . . . 2.36 110.132 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.588 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -68.03 -34.92 77.39 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.394 -0.821 . . . . 0.28 109.457 178.724 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.509 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -67.95 -35.39 78.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.618 -0.719 . . . . 0.86 111.414 179.879 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.25 -31.59 69.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.314 -0.403 . . . . 0.6 111.106 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.22 -54.45 4.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 1.31 111.865 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.536 ' HG ' HD22 ' A' ' 25' ' ' LEU . 28.1 mt -58.27 -37.63 75.36 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.465 0.543 . . . . 0.49 112.465 -179.116 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.4 -34.12 73.75 Favored Glycine 0 C--O 1.23 -0.143 0 C-N-CA 120.869 -0.682 . . . . 0.65 112.546 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -89.53 -14.69 34.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.432 0.634 . . . . 1.94 110.327 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.505 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -91.32 -4.22 56.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.737 -0.665 . . . . 3.82 110.946 -179.675 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -53.67 23.98 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.122 -0.49 . . . . 1.84 111.109 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 23.8 t 59.76 100.88 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.615 0 O-C-N 123.818 0.699 . . . . 1.87 111.408 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 11.5 Cg_exo -67.63 145.95 75.61 Favored 'Cis proline' 0 C--N 1.348 0.509 0 C-N-CA 123.229 -1.571 . . . . 1.86 112.446 0.171 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 35' ' ' PRO . 53.0 Cg_exo -53.9 132.01 47.4 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.07 2.513 . . . . 1.42 112.029 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.8 t -73.98 -26.67 21.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.975 -0.557 . . . . 2.02 111.042 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.63 -53.14 4.69 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.38 -1.088 . . . . 1.27 110.38 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -133.41 87.79 2.42 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.609 -0.886 . . . . 2.13 108.609 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.568 ' HZ ' ' HB2' ' A' ' 76' ' ' TYR . 8.3 t80 -50.38 -78.79 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 O-C-N 124.168 0.917 . . . . 0.52 109.649 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.83 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 7.1 tpp -116.98 127.97 26.35 Favored Pre-proline 0 C--N 1.319 -0.753 0 N-CA-C 108.875 -0.787 . . . . 0.28 108.875 177.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 41' ' ' MET . 24.5 Cg_exo -64.15 150.06 89.1 Favored 'Trans proline' 0 C--O 1.238 0.492 0 C-N-CA 122.204 1.936 . . . . 0.29 111.573 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.506 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -51.28 -36.27 41.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.044 0.84 . . . . 1.51 111.495 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.461 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -62.32 -53.5 54.12 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.747 -0.66 . . . . 0.57 111.677 -179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.457 ' O ' ' HB3' ' A' ' 49' ' ' MET . 40.4 mm -64.73 -35.58 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.34 111.165 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.762 HD22 ' HB3' ' A' ' 22' ' ' LEU . 70.3 mt -61.47 -35.99 79.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.198 -0.455 . . . . 0.26 111.002 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 18.7 mttt -70.42 -51.65 27.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.316 0.487 . . . . 0.97 112.316 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -67.59 -38.53 84.16 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.872 0.323 . . . . 0.77 111.872 -178.724 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.457 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -69.86 -30.15 67.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.425 -0.352 . . . . 1.07 110.373 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.67 -31.62 65.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.606 -0.27 . . . . 0.22 111.397 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.22 -45.44 15.05 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.168 0.433 . . . . 0.3 112.168 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 mp -82.05 -38.23 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 111.765 0.283 . . . . 0.37 111.765 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 53' ' ' LEU . 4.8 mt 54.75 69.49 2.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 O-C-N 123.803 0.689 . . . . 0.41 110.457 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.428 ' HG2' ' CE1' ' A' ' 60' ' ' PHE . 24.7 Cg_exo -61.49 109.8 0.81 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.545 2.164 . . . . 0.48 111.877 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -15.34 60.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.932 -0.576 . . . . 1.66 110.931 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -143.67 162.98 34.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 2.68 110.553 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.93 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 0.1 OUTLIER -67.99 -14.57 63.07 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.986 0.422 . . . . 2.68 111.066 -179.511 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -44.52 60.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.141 0.496 . . . . 1.02 110.483 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.84 -27.11 68.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.62 0.724 . . . . 0.62 110.639 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.93 ' HD2' ' HA ' ' A' ' 57' ' ' ASP . 2.9 m-85 -53.6 -25.98 19.87 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.968 -1.014 . . . . 0.46 113.0 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.45 -26.14 66.52 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.034 0.383 . . . . 0.67 112.034 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.6 -2.2 57.91 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 122.059 -0.401 . . . . 1.13 111.841 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 63' ' ' LEU . 4.8 mt -72.25 -25.27 61.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.434 0.635 . . . . 0.68 109.516 178.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.7 -113.22 1.73 Allowed Glycine 0 N--CA 1.439 -1.166 0 N-CA-C 111.128 -0.789 . . . . 1.61 111.128 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.39 72.43 1.5 Allowed 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 120.545 0.212 . . . . 2.55 110.636 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.27 129.07 35.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 N-CA-C 109.901 -0.407 . . . . 0.89 109.901 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.412 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.6 OUTLIER -49.44 150.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.897 -0.592 . . . . 2.42 111.651 -179.119 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.07 -39.69 79.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.407 0.622 . . . . 1.72 109.568 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.474 ' O ' ' HD2' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -71.88 -26.5 62.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.088 -0.96 . . . . 1.97 110.518 179.173 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.481 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . 14.1 m-30 -73.68 -39.21 64.58 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.057 -0.72 . . . . 1.29 109.057 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.762 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -69.35 -34.26 74.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.925 -0.768 . . . . 2.55 108.925 177.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.461 ' O ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -64.1 -49.55 71.81 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.479 -0.782 . . . . 4.38 111.082 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.481 ' CD ' ' HA ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -83.15 -4.32 58.26 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.592 -0.443 . . . . 1.44 110.912 179.879 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.762 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -53.57 -31.15 45.49 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.201 -0.454 . . . . 0.36 110.151 178.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.461 ' HD3' ' O ' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -57.06 -24.32 53.04 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.9 -0.591 . . . . 1.72 111.931 179.619 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.568 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 75.9 m-85 -81.33 -10.21 59.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.17 0.509 . . . . 0.99 110.306 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.83 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.2 OUTLIER -106.69 -16.76 14.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.193 -0.912 . . . . 0.27 109.889 179.027 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -30.75 64.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.987 -0.552 . . . . 1.37 111.428 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.62 -31.28 66.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.995 0.426 . . . . 0.56 110.686 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -44.33 14.35 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.716 -0.674 . . . . 0.53 111.497 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 77' ' ' PHE . 51.4 mt -59.16 -34.72 54.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.424 -0.353 . . . . 0.55 110.559 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.21 -26.99 47.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.916 0.389 . . . . 0.53 111.431 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -82.59 -42.23 18.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.509 -0.314 . . . . 1.4 111.417 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.581 HD22 ' HA ' ' A' ' 18' ' ' THR . 6.3 mt -64.27 -28.56 69.81 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.876 0.324 . . . . 0.48 111.876 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.25 -30.05 64.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.267 0.556 . . . . 1.37 110.468 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm -80.96 -32.14 34.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.821 -0.627 . . . . 3.07 109.73 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.666 -0.697 . . . . 2.78 110.624 179.759 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.123 -0.695 . . . . 2.24 109.123 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.62 HD11 ' HA ' ' A' ' 51' ' ' ALA . 1.6 tt -62.82 -33.2 74.72 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 115.648 -0.706 . . . . 0.91 109.327 178.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -38.04 86.59 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.422 -0.955 . . . . 3.67 108.422 178.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -36.72 80.56 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.697 -0.683 . . . . 2.93 110.022 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.572 ' HA ' HD22 ' A' ' 84' ' ' LEU . 7.6 m -58.84 -52.82 64.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.457 0.646 . . . . 0.38 109.307 178.371 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.429 ' CE1' ' HG3' ' A' ' 47' ' ' LYS . 73.1 t80 -63.43 -39.92 95.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.084 -0.962 . . . . 0.61 110.635 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.5 -47.1 85.45 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.775 -0.648 . . . . 2.35 111.014 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -64.08 -32.96 74.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.993 0.425 . . . . 3.57 110.922 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.891 ' HB3' HD22 ' A' ' 46' ' ' LEU . 4.4 mt -66.91 -36.47 82.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.118 -0.492 . . . . 0.33 110.098 179.133 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.39 -38.63 55.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.119 0.485 . . . . 3.33 110.343 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.403 ' HG2' ' NH2' ' A' ' 21' ' ' ARG . 3.1 tp10 -64.51 -35.05 79.71 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.229 -0.656 . . . . 2.36 109.229 178.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.581 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -76.55 -35.63 58.13 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.191 -0.913 . . . . 0.28 109.343 179.035 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.683 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 1.5 t -63.77 -36.82 85.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.86 111.158 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 mp -80.85 -33.08 34.78 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.452 -0.499 . . . . 0.6 110.788 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -71.75 -52.01 19.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.883 0.373 . . . . 1.31 110.454 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.581 ' HG ' HD22 ' A' ' 25' ' ' LEU . 46.5 mt -65.33 -40.11 93.27 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.945 -0.57 . . . . 0.49 109.881 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' A' ' 36' ' ' PRO . . . -60.78 -43.54 99.05 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.708 -0.758 . . . . 0.65 112.474 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.498 ' HA ' ' HB3' ' A' ' 36' ' ' PRO . 44.5 t30 -72.02 -16.46 62.06 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.374 0.606 . . . . 1.94 110.861 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -87.68 -4.97 58.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.902 0.858 . . . . 3.82 109.545 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 6.2 mtt -104.8 159.82 15.48 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.065 -0.971 . . . . 1.84 109.817 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.3 t -125.75 118.44 24.29 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 110.071 -0.344 . . . . 1.87 110.071 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.46 152.72 90.86 Favored 'Cis proline' 0 C--O 1.237 0.455 0 C-N-CA 123.159 -1.6 . . . . 1.86 112.471 0.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.537 ' HA ' ' O ' ' A' ' 30' ' ' GLY . 53.3 Cg_exo -51.04 127.35 21.45 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.484 2.123 . . . . 1.42 112.082 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.07 102.85 14.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.388 -0.823 . . . . 2.02 111.732 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.31 -32.26 75.57 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 110.497 -1.041 . . . . 1.27 110.497 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -105.87 66.19 0.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 107.865 -1.161 . . . . 2.13 107.865 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.683 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 27.0 t80 -61.11 -42.56 98.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.762 -1.108 . . . . 0.52 109.729 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.626 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 5.9 tpp -132.57 131.89 22.43 Favored Pre-proline 0 C--N 1.317 -0.818 0 N-CA-C 108.005 -1.109 . . . . 0.28 108.005 177.045 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.772 ' HG2' ' HE2' ' A' ' 70' ' ' TYR . 72.1 Cg_exo -54.01 140.52 69.59 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.826 2.351 . . . . 0.29 112.923 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -51.66 -43.67 62.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.955 -1.02 . . . . 1.51 111.572 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.424 ' O ' ' HE2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -65.0 -48.12 75.06 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.674 -0.694 . . . . 0.57 111.364 -179.607 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.406 HD13 ' HE3' ' A' ' 48' ' ' LYS . 4.8 mm -63.35 -36.7 77.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.383 -0.371 . . . . 0.34 111.001 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.891 HD22 ' HB3' ' A' ' 22' ' ' LEU . 48.1 mt -63.83 -38.6 91.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.913 0.387 . . . . 0.26 111.101 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.429 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 20.0 mttt -67.28 -46.41 73.71 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.974 0.731 . . . . 0.97 112.974 -178.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.424 ' HE2' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -69.97 -39.72 75.82 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.625 -0.43 . . . . 0.77 111.384 -179.328 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.473 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -66.09 -32.02 73.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.843 -0.617 . . . . 1.07 110.54 -179.658 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.44 -28.35 52.44 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.239 0.542 . . . . 0.22 110.777 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.62 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -77.92 -36.78 49.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.208 0.447 . . . . 0.3 112.208 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mp -97.8 -34.57 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 111.774 0.287 . . . . 0.37 111.774 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.834 HD13 ' HA ' ' A' ' 85' ' ' SER . 18.4 mt 59.02 75.75 0.49 Allowed Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.563 -0.744 . . . . 0.41 111.14 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -76.67 106.26 2.22 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.981 2.454 . . . . 0.48 112.462 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.482 ' HG2' ' HA ' ' A' ' 82' ' ' ALA . 1.6 mtp -84.35 -11.77 55.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.237 0.541 . . . . 1.66 110.212 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -126.59 155.24 42.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.756 -0.656 . . . . 2.68 110.524 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 60' ' ' PHE . 0.2 OUTLIER -68.04 -27.64 66.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.726 -0.67 . . . . 2.68 111.43 -179.639 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.3 -30.64 70.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.253 0.549 . . . . 1.02 110.348 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.73 -26.31 60.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.791 -0.641 . . . . 0.62 110.261 179.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.722 ' HE2' ' HE3' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -60.18 -27.32 67.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.466 -0.788 . . . . 0.46 112.122 -179.497 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.6 -26.06 66.07 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.01 0.374 . . . . 0.67 112.01 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -7.31 59.64 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.193 0.442 . . . . 1.13 112.193 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.473 HD21 ' HA ' ' A' ' 49' ' ' MET . 12.8 mt -65.83 -36.17 82.74 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 108.66 -0.867 . . . . 0.68 108.66 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.12 44.15 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.831 0 CA-C-N 114.572 -1.195 . . . . 1.61 110.751 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 48.56 77.78 0.09 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.772 0.829 . . . . 2.55 112.061 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.8 m -72.01 139.95 18.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.815 -0.63 . . . . 0.89 110.653 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.623 ' HB3' ' HD3' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -67.0 157.18 34.08 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.903 -0.406 . . . . 2.42 109.903 179.748 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.98 -35.93 76.06 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.138 -0.225 . . . . 1.72 111.076 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.623 ' HD3' ' HB3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -65.21 -25.99 67.94 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.923 0.392 . . . . 1.97 111.002 179.709 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.772 ' HE2' ' HG2' ' A' ' 42' ' ' PRO . 40.3 m-85 -76.48 -33.01 58.69 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.083 -0.71 . . . . 1.29 109.083 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.713 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 5.1 mtm105 -67.31 -31.14 71.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.137 -0.938 . . . . 2.55 109.769 178.359 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.628 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 7.5 mmm180 -50.44 -56.37 11.77 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.297 -0.865 . . . . 4.38 112.137 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.561 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -88.54 -3.27 58.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.197 0.523 . . . . 1.44 109.9 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.713 ' HB2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -63.42 -35.28 79.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.812 -0.631 . . . . 0.36 109.724 178.828 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 18.1 ptpt -61.08 -24.88 66.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.192 -0.913 . . . . 1.72 111.937 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 73' ' ' ARG . 65.5 m-85 -78.21 -9.31 59.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.99 110.564 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.626 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 5.2 m-85 -108.24 -16.96 14.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.201 -0.454 . . . . 0.27 110.557 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.722 ' HE3' ' HE2' ' A' ' 60' ' ' PHE . 0.1 OUTLIER -49.54 -34.65 18.0 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.819 1.044 . . . . 1.37 113.819 -177.592 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.93 -36.47 69.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.914 -0.492 . . . . 0.56 111.198 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.39 -43.31 33.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.852 -0.613 . . . . 0.53 111.776 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 77' ' ' PHE . 19.6 mt -59.88 -34.06 54.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.55 110.377 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.482 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -75.43 -27.18 58.86 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.067 0.46 . . . . 0.53 110.956 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -82.59 -46.97 12.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 1.4 111.331 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.572 HD22 ' HA ' ' A' ' 18' ' ' THR . 11.8 mt -62.01 -28.51 69.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.076 -0.511 . . . . 0.48 112.031 -179.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.834 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -69.67 -27.56 65.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.826 0.346 . . . . 1.37 111.433 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.4 -3.44 56.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.891 0.377 . . . . 3.07 111.03 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 116.1 -0.5 . . . . 2.78 110.675 179.805 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 . . . . . 0 N--CA 1.462 0.144 0 N-CA-C 111.514 0.19 . . . . 2.24 111.514 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -69.37 -33.36 72.95 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.352 -0.539 . . . . 0.91 110.858 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -67.24 -35.27 79.21 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.917 -0.772 . . . . 3.67 108.917 178.639 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -43.23 94.09 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 115.551 -0.75 . . . . 2.93 109.091 177.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.811 HG23 HD13 ' A' ' 84' ' ' LEU . 57.4 m -60.3 -44.36 95.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.777 -0.647 . . . . 0.38 110.252 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -65.05 -44.47 88.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.985 -0.552 . . . . 0.61 110.918 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -67.99 -35.97 79.23 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.062 -0.255 . . . . 2.35 111.335 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -32.73 74.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.184 0.516 . . . . 3.57 110.072 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.756 ' HB3' HD22 ' A' ' 46' ' ' LEU . 7.9 mt -75.25 -32.39 61.07 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.322 -0.622 . . . . 0.33 109.322 177.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 23' ' ' ARG . 13.8 ttt180 -70.31 -40.9 73.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.907 -0.588 . . . . 3.33 109.835 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.79 -36.38 80.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 2.36 110.351 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.689 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -74.57 -33.61 62.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.472 -0.786 . . . . 0.28 110.199 179.517 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.712 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -63.45 -37.05 85.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.748 -0.66 . . . . 0.86 110.836 179.671 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.14 -32.37 56.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.518 0.675 . . . . 0.6 109.713 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -67.96 -56.87 7.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.319 -0.855 . . . . 1.31 111.303 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 76' ' ' TYR . 58.6 mt -68.04 -32.58 73.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 0.49 110.745 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.17 -36.33 92.21 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.623 -0.799 . . . . 0.65 112.097 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -15.19 37.43 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.07 0.462 . . . . 1.94 111.021 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -92.67 -2.95 55.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.598 0.713 . . . . 3.82 109.85 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.61 152.91 18.02 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.444 -0.798 . . . . 1.84 109.136 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.455 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 1.6 t -120.8 114.82 32.38 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 116.109 -0.496 . . . . 1.87 110.234 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 60.8 Cg_endo -85.1 162.49 63.32 Favored 'Cis proline' 0 N--CA 1.458 -0.575 0 C-N-CA 123.171 -1.596 . . . . 1.86 111.954 0.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.42 120.76 6.75 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.754 2.303 . . . . 1.42 112.809 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -75.97 -37.12 33.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.576 -1.193 . . . . 2.02 111.492 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.64 -73.0 2.13 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.349 -1.1 . . . . 1.27 110.349 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -95.43 71.56 3.18 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.716 -0.846 . . . . 2.13 108.716 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.712 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 13.2 t80 -48.48 -77.36 0.02 OUTLIER 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.025 -0.989 . . . . 0.52 110.453 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.733 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 35.2 tpp -107.71 125.07 33.07 Favored Pre-proline 0 N--CA 1.441 -0.907 0 N-CA-C 108.995 -0.742 . . . . 0.28 108.995 178.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -53.03 145.97 39.62 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 123.071 2.514 . . . . 0.29 112.41 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.82 -44.39 66.65 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.794 -0.639 . . . . 1.51 111.425 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.497 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -61.68 -40.43 94.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.852 -0.613 . . . . 0.57 111.04 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.482 ' O ' ' HB3' ' A' ' 49' ' ' MET . 7.3 mm -71.32 -37.22 64.61 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-N 116.211 -0.449 . . . . 0.34 110.777 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.756 HD22 ' HB3' ' A' ' 22' ' ' LEU . 84.1 mt -61.51 -36.55 80.85 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.959 -0.386 . . . . 0.26 109.959 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 mttp -69.68 -50.14 46.75 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.298 0.481 . . . . 0.97 112.298 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -66.44 -39.48 88.92 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 120.67 -0.412 . . . . 0.77 110.91 -179.201 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.566 ' HE3' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -69.2 -29.93 68.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.249 -0.432 . . . . 1.07 110.444 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.31 -31.59 38.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.22 111.202 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.455 ' HA ' HD21 ' A' ' 15' ' ' LEU . . . -78.77 -40.12 34.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.574 -0.284 . . . . 0.3 111.335 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -88.8 -35.6 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.458 -0.337 . . . . 0.37 110.992 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 53' ' ' LEU . 15.1 mt 52.89 70.2 1.96 Allowed Pre-proline 0 C--N 1.327 -0.398 0 O-C-N 123.971 0.794 . . . . 0.41 109.883 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.492 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 3.0 Cg_exo -73.21 108.54 2.63 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 123.328 2.686 . . . . 0.48 112.475 -178.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -21.38 42.82 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.913 -0.585 . . . . 1.66 110.467 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -116.99 173.67 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.283 -0.417 . . . . 2.68 110.655 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.06 -13.65 52.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.038 0.447 . . . . 2.68 111.149 -179.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -46.54 56.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.061 0.458 . . . . 1.02 110.447 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 54' ' ' PRO . . . -63.19 -23.97 67.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.224 0.535 . . . . 0.62 110.302 178.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.489 ' HD1' ' HA ' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -62.46 -26.57 68.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.638 -0.71 . . . . 0.46 111.859 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.22 -25.4 68.05 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.872 0.323 . . . . 0.67 111.872 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.04 1.42 35.84 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.008 0.374 . . . . 1.13 112.008 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.5 mt -80.58 -31.94 36.65 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 107.795 -1.187 . . . . 0.68 107.795 177.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.26 -64.7 3.72 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 115.167 -0.924 . . . . 1.61 115.1 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.11 33.12 0.49 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 115.222 1.564 . . . . 2.55 115.222 -176.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.44 ' CG1' HD12 ' A' ' 45' ' ' ILE . 33.7 m -118.47 102.35 13.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.888 0.851 . . . . 0.89 109.342 176.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -77.48 -177.37 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.261 -0.881 . . . . 2.42 110.44 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -54.87 -40.25 69.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.212 -0.449 . . . . 1.72 111.365 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.406 ' HD2' ' H ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -70.92 -31.18 67.71 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.274 -0.421 . . . . 1.97 111.336 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -76.24 -37.6 57.45 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.42 -0.585 . . . . 1.29 109.42 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.845 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 16.3 mmm-85 -69.21 -33.84 73.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.54 -0.755 . . . . 2.55 110.501 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.449 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -65.51 -61.94 1.81 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.734 -0.666 . . . . 4.38 112.356 -179.167 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -4.45 6.76 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.21 0.529 . . . . 1.44 111.127 -179.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.845 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -57.77 -29.15 64.6 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.872 -0.603 . . . . 0.36 110.054 178.027 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 2.0 pttt -52.67 -25.0 9.6 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.215 -0.902 . . . . 1.72 112.345 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.547 ' HB3' HD13 ' A' ' 29' ' ' LEU . 74.8 m-85 -82.68 -8.23 59.61 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 120.951 0.405 . . . . 0.99 111.266 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.733 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.3 OUTLIER -110.92 -12.47 14.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.359 -0.382 . . . . 0.27 110.844 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.04 -34.56 56.98 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.912 0.708 . . . . 1.37 112.912 -177.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.94 -32.29 63.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.162 0.506 . . . . 0.56 110.534 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -51.73 17.01 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.312 -0.858 . . . . 0.53 110.76 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 77' ' ' PHE . 13.1 mt -55.93 -42.53 71.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.457 -0.792 . . . . 0.55 110.909 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.68 -38.02 80.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 0.53 111.959 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -70.62 -39.8 73.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.447 -0.342 . . . . 1.4 111.056 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.811 HD13 HG23 ' A' ' 18' ' ' THR . 27.0 mt -67.68 -31.94 72.25 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.375 0.509 . . . . 0.48 112.375 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -28.97 63.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.171 0.51 . . . . 1.37 109.856 178.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.18 -29.59 48.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.778 -0.646 . . . . 3.07 110.191 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm . . . . . 0 C--O 1.236 0.384 0 CA-C-N 116.092 -0.504 . . . . 2.78 111.148 -179.824 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.189 0 N-CA-C 109.871 -0.418 . . . . 2.24 109.871 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.751 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -82.54 -30.95 29.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.751 -0.659 . . . . 0.91 110.351 178.911 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.504 ' HD2' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -65.47 -38.19 89.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.951 -0.568 . . . . 3.67 110.664 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.2 ttm -61.36 -41.91 97.85 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.287 -0.635 . . . . 2.93 109.287 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.586 HG23 HD13 ' A' ' 84' ' ' LEU . 1.5 m -63.3 -48.65 77.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.305 -0.861 . . . . 0.38 110.562 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.453 ' CE1' ' HG3' ' A' ' 47' ' ' LYS . 89.2 t80 -62.06 -43.2 99.35 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.871 -0.604 . . . . 0.61 111.092 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -41.91 77.31 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.026 -0.533 . . . . 2.35 111.21 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.19 -40.55 94.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.251 0.548 . . . . 3.57 110.974 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.674 ' HB3' HD22 ' A' ' 46' ' ' LEU . 1.1 mt -68.26 -36.89 80.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.693 -0.685 . . . . 0.33 110.209 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -45.62 91.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.261 0.553 . . . . 3.33 110.519 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.89 -34.61 76.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.612 -0.722 . . . . 2.36 111.025 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.696 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -74.52 -32.05 62.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.194 -0.457 . . . . 0.28 110.277 -179.501 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.712 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 23.5 m -66.68 -36.36 82.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.946 0.403 . . . . 0.86 110.076 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -74.65 -32.02 62.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.851 -0.613 . . . . 0.6 110.627 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.08 -55.92 5.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.991 -0.55 . . . . 1.31 111.78 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.585 ' HG ' HD22 ' A' ' 25' ' ' LEU . 67.1 mt -64.94 -41.3 95.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.532 -0.304 . . . . 0.49 111.44 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.74 -43.38 97.86 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.794 -0.717 . . . . 0.65 113.159 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -78.07 -13.41 59.88 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 117.194 0.497 . . . . 1.94 111.54 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.57 -4.91 47.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.958 0.408 . . . . 3.82 110.579 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.82 159.24 21.44 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.585 -0.524 . . . . 1.84 109.585 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 42.7 t -136.3 111.88 10.06 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.578 -0.283 . . . . 1.87 110.596 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 13.4 Cg_exo -70.75 149.34 90.8 Favored 'Cis proline' 0 C--N 1.347 0.498 0 C-N-CA 123.685 -1.381 . . . . 1.86 112.128 -0.015 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' PRO . 52.2 Cg_exo -57.65 130.58 39.45 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.649 2.233 . . . . 1.42 112.491 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.39 121.9 36.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.735 -0.666 . . . . 2.02 109.518 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.54 -53.54 43.06 Favored Glycine 0 CA--C 1.504 -0.651 0 N-CA-C 110.716 -0.954 . . . . 1.27 110.716 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -114.84 93.56 4.37 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 122.285 1.04 . . . . 2.13 109.467 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.712 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 17.7 t80 -60.58 -57.63 11.91 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.251 -0.886 . . . . 0.52 108.915 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.706 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -134.63 126.2 17.94 Favored Pre-proline 0 N--CA 1.441 -0.877 0 CA-C-N 115.335 -0.848 . . . . 0.28 108.849 177.871 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 41' ' ' MET . 26.2 Cg_exo -63.81 148.96 91.73 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.697 2.264 . . . . 0.29 112.345 -178.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -52.48 -37.59 57.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.499 -0.773 . . . . 1.51 110.812 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.557 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -64.05 -52.08 61.07 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.777 -0.647 . . . . 0.57 111.095 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.442 ' O ' ' HB3' ' A' ' 49' ' ' MET . 19.5 mm -64.08 -37.68 80.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.615 -0.72 . . . . 0.34 111.343 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.807 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 50.4 mt -62.0 -35.27 78.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.485 -0.325 . . . . 0.26 110.736 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.453 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 51.8 mttt -72.42 -43.05 64.4 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.194 0.442 . . . . 0.97 112.194 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.1 OUTLIER -73.85 -40.98 62.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.98 0.419 . . . . 0.77 110.739 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.807 ' SD ' ' HA ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -65.88 -31.1 71.85 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.188 -0.46 . . . . 1.07 111.074 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' A' ' 18' ' ' THR . . . -79.29 -27.95 42.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.001 0.429 . . . . 0.22 110.782 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.751 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -84.19 -39.38 19.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.022 -0.536 . . . . 0.3 112.397 -178.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.449 HG21 ' OG1' ' A' ' 62' ' ' THR . 1.2 mp -88.06 -34.37 7.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.693 0.283 . . . . 0.37 110.897 -179.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.549 HD23 HG23 ' A' ' 81' ' ' ILE . 11.1 mt 56.15 65.49 4.21 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 115.704 -0.68 . . . . 0.41 111.589 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.3 113.46 3.77 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.044 2.496 . . . . 0.48 111.579 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.456 ' HG2' ' HA ' ' A' ' 82' ' ' ALA . 3.2 mtp -65.76 -25.96 67.5 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.29 0.478 . . . . 1.66 112.29 -178.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -150.54 -175.39 5.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.066 0.46 . . . . 2.68 111.656 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.666 ' HA ' ' CD2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -61.47 -31.75 71.73 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.083 -0.962 . . . . 2.68 112.34 -178.917 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -49.07 77.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.831 0.348 . . . . 1.02 111.719 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.31 -26.58 68.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.62 111.621 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.666 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 2.7 m-30 -50.52 -24.59 3.28 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.397 0.888 . . . . 0.46 113.397 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.48 -23.98 42.89 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.907 0.384 . . . . 0.67 111.507 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.449 ' OG1' HG21 ' A' ' 52' ' ' ILE . 77.5 p -79.13 -25.69 42.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.932 0.396 . . . . 1.13 111.119 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' ' 49' ' ' MET . 5.4 mt -66.5 -34.09 77.14 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.761 0.791 . . . . 0.68 109.724 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.98 -155.33 16.74 Favored Glycine 0 N--CA 1.438 -1.204 0 CA-C-N 114.724 -1.125 . . . . 1.61 111.063 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.28 68.85 9.94 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 111.906 0.336 . . . . 2.55 111.906 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.401 HG12 HD12 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -67.18 134.14 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 109.122 -0.695 . . . . 0.89 109.122 178.561 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.563 ' HG3' ' HD2' ' A' ' 69' ' ' LYS . 4.2 tp10 -57.73 153.11 14.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.149 0.5 . . . . 2.42 111.765 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -39.06 78.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.688 -0.687 . . . . 1.72 110.895 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.563 ' HD2' ' HG3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -70.56 -25.89 63.29 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.028 0.442 . . . . 1.97 110.696 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.484 ' HD2' ' HB3' ' A' ' 67' ' ' GLU . 31.4 m-85 -82.42 -35.6 27.46 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.547 -0.538 . . . . 1.29 109.547 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.729 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 6.5 ttp180 -65.62 -34.8 79.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.16 0.505 . . . . 2.55 109.922 177.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -68.58 0.28 Allowed 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 115.544 -0.753 . . . . 4.38 112.431 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -4.97 10.82 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.583 0.23 . . . . 1.44 111.492 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.729 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -55.54 -31.27 61.99 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 108.486 -0.931 . . . . 0.36 108.486 177.505 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.76 -26.92 15.66 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 114.556 -1.202 . . . . 1.72 112.004 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.496 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 52.2 m-85 -79.58 -8.89 59.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.084 0.468 . . . . 0.99 111.077 -179.283 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.706 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.9 OUTLIER -112.02 -15.76 13.22 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.109 -0.496 . . . . 0.27 110.51 178.749 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -32.19 70.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.146 -0.479 . . . . 1.37 112.014 -178.429 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.02 -33.7 65.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.037 0.446 . . . . 0.56 111.01 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.16 -46.81 14.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.955 -0.566 . . . . 0.53 111.812 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.549 HG23 HD23 ' A' ' 53' ' ' LEU . 90.2 mt -60.98 -33.35 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.981 0.419 . . . . 0.55 110.21 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.456 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -70.94 -24.19 62.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.489 0.662 . . . . 0.53 110.356 178.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -90.11 -39.52 12.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.805 -0.634 . . . . 1.4 110.757 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.586 HD13 HG23 ' A' ' 18' ' ' THR . 10.1 mt -57.35 -27.67 62.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.999 -0.546 . . . . 0.48 112.078 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.489 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -66.81 -28.78 68.64 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.029 0.443 . . . . 1.37 110.377 179.038 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -90.77 -35.0 15.11 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 109.341 -0.614 . . . . 3.07 109.341 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 84' ' ' LEU . 5.2 mmtm . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.185 -0.916 . . . . 2.78 111.069 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.451 -0.399 0 CA-C-O 121.494 0.664 . . . . 6.57 110.352 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.12 61.21 5.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.23 -0.896 . . . . 5.39 109.566 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -56.49 101.46 0.06 Allowed 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.441 -1.254 . . . . 3.15 111.635 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.442 ' ND2' ' HB2' ' A' ' 91' ' ' GLU . 3.3 t-20 -63.8 -29.03 70.27 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.135 -0.939 . . . . 2.24 109.495 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.48 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -61.51 -35.24 77.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.731 -0.668 . . . . 0.91 110.084 178.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -39.27 79.92 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.14 -0.689 . . . . 3.67 109.14 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.42 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -66.49 -34.07 77.11 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.887 -0.782 . . . . 2.93 108.887 178.287 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.949 HG23 HD13 ' A' ' 84' ' ' LEU . 36.2 m -66.09 -52.68 46.49 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.388 -0.824 . . . . 0.38 110.309 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -57.5 -39.92 77.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.75 -0.659 . . . . 0.61 110.786 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.77 -43.05 66.4 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.911 -0.586 . . . . 2.35 110.625 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -61.65 -33.21 73.55 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.235 0.54 . . . . 3.57 110.015 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.835 ' HB3' HD22 ' A' ' 46' ' ' LEU . 2.6 mt -71.36 -41.11 70.14 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.388 -0.824 . . . . 0.33 109.673 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -62.89 -41.42 99.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.345 0.593 . . . . 3.33 110.245 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -70.75 -36.74 73.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.666 -0.697 . . . . 2.36 111.003 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.557 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -73.75 -38.45 64.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.865 -0.607 . . . . 0.28 110.681 -178.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.876 ' HG ' ' HZ ' ' A' ' 77' ' ' PHE . 18.8 m -62.44 -39.06 92.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.691 0.282 . . . . 0.86 110.68 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mp -77.85 -29.45 50.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.162 0.506 . . . . 0.6 110.485 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -70.06 -60.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.879 -0.6 . . . . 1.31 110.921 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.5 mt -66.42 -31.76 72.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.023 0.44 . . . . 0.49 110.776 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.5 -34.97 91.06 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.553 -0.832 . . . . 0.65 113.014 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -87.56 -11.96 47.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.376 0.608 . . . . 1.94 110.094 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -90.39 -3.1 57.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.845 -0.616 . . . . 3.82 110.216 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.406 ' SD ' HG22 ' A' ' 37' ' ' VAL . 8.7 ttm -97.11 142.74 28.68 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.446 -0.576 . . . . 1.84 109.446 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 2.1 t -121.92 115.61 30.49 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 120.804 -0.358 . . . . 1.87 110.553 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 71.6 Cg_endo -78.11 158.34 93.84 Favored 'Cis proline' 0 C--O 1.237 0.45 0 C-N-CA 123.403 -1.499 . . . . 1.86 112.207 0.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -50.88 140.19 39.17 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.918 2.412 . . . . 1.42 112.731 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.406 HG22 ' SD ' ' A' ' 33' ' ' MET . 1.2 t -76.99 -41.22 31.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.237 -0.892 . . . . 2.02 111.846 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.79 -62.44 4.55 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 109.832 -1.307 . . . . 1.27 109.832 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -115.41 80.9 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.554 -0.906 . . . . 2.13 108.554 177.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.71 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 27.9 t80 -60.75 -42.87 98.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.632 -0.713 . . . . 0.52 110.256 -178.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.662 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 7.0 tpp -146.51 125.1 6.34 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 115.351 -0.841 . . . . 0.28 109.329 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.85 147.38 92.74 Favored 'Trans proline' 0 C--O 1.239 0.572 0 C-N-CA 122.736 2.291 . . . . 0.29 112.183 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.56 ' HA ' HD12 ' A' ' 46' ' ' LEU . 18.5 t70 -51.25 -39.97 57.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.347 -0.842 . . . . 1.51 111.746 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.584 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -64.1 -47.56 79.55 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.547 -0.297 . . . . 0.57 111.344 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.814 HD12 HG12 ' A' ' 66' ' ' VAL . 28.4 mm -64.73 -38.29 82.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.511 0.196 . . . . 0.34 110.727 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.835 HD22 ' HB3' ' A' ' 22' ' ' LEU . 26.6 mt -60.78 -35.75 77.24 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-O 120.896 0.379 . . . . 0.26 110.123 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -69.46 -55.53 9.99 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.815 0.672 . . . . 0.97 112.815 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -65.38 -41.16 94.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.65 0.262 . . . . 0.77 111.529 -178.498 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.457 ' SD ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -66.95 -30.32 70.42 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.672 -0.411 . . . . 1.07 110.857 -179.394 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.78 -30.05 62.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.702 0.286 . . . . 0.22 111.601 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.48 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -87.93 -42.73 12.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.13 0.49 . . . . 0.3 112.119 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mp -80.79 -34.37 13.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.79 -0.364 . . . . 0.37 110.826 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.585 HD13 ' HA ' ' A' ' 85' ' ' SER . 28.4 mt 49.81 68.35 3.55 Favored Pre-proline 0 N--CA 1.466 0.332 0 CA-C-N 115.528 -0.76 . . . . 0.41 111.513 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -79.37 119.02 4.05 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.926 2.417 . . . . 0.48 111.196 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.457 ' HG2' ' HA ' ' A' ' 82' ' ' ALA . 8.1 mtp -96.32 8.53 43.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.042 -0.526 . . . . 1.66 111.649 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -152.25 157.61 41.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.509 -0.314 . . . . 2.68 111.066 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -35.61 80.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.077 -0.511 . . . . 2.68 110.37 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -23.12 66.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.873 -0.603 . . . . 1.02 110.387 179.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.91 -30.6 16.8 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.03 -0.532 . . . . 0.62 110.494 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.97 -26.53 6.1 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.475 -0.784 . . . . 0.46 112.299 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.55 -21.01 59.67 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.308 0.485 . . . . 0.67 112.308 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.5 p -79.99 -1.99 42.05 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.948 0.404 . . . . 1.13 111.585 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 63' ' ' LEU . 13.6 mt -76.8 -3.43 38.29 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.147 0.499 . . . . 0.68 109.94 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.2 -70.99 3.01 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.764 -0.653 . . . . 1.61 112.671 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.81 98.83 3.01 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.319 0.859 . . . . 2.55 113.319 -178.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.814 HG12 HD12 ' A' ' 45' ' ' ILE . 5.2 m -116.47 121.67 68.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.792 -0.818 . . . . 0.89 108.792 176.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.444 ' HB3' ' HG2' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -55.07 151.35 9.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.933 -0.576 . . . . 2.42 110.588 -178.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.77 -33.14 72.51 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.798 -0.445 . . . . 1.72 109.798 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.444 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -70.55 -27.28 64.03 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.669 -0.696 . . . . 1.97 109.642 178.426 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -76.08 -34.58 59.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.658 -0.701 . . . . 1.29 109.213 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.757 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 3.5 ttp180 -64.58 -32.91 74.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.422 -0.808 . . . . 2.55 111.166 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.521 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 11.9 mtp-105 -63.66 -67.78 0.4 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.45 -0.341 . . . . 4.38 111.846 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -5.5 5.42 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.118 0.485 . . . . 1.44 111.888 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.757 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -58.1 -35.11 70.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.119 -0.946 . . . . 0.36 110.108 177.351 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 12.8 ptpt -55.34 -23.81 25.91 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.991 -1.004 . . . . 1.72 112.606 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.63 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 35.7 m-85 -83.58 -5.75 59.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.892 0.377 . . . . 0.99 111.581 -179.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.876 ' HZ ' ' HG ' ' A' ' 26' ' ' SER . 1.9 m-85 -107.67 -15.53 14.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.271 -0.422 . . . . 0.27 111.8 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -36.53 43.4 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.38 0.881 . . . . 1.37 113.38 -177.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.76 -32.36 73.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.757 0.313 . . . . 0.56 111.662 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.448 HG22 HD11 ' A' ' 84' ' ' LEU . 2.5 m -86.75 -43.32 12.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.57 -0.286 . . . . 0.53 111.078 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 77' ' ' PHE . 36.3 mt -59.81 -42.61 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 120.816 0.341 . . . . 0.55 110.732 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.457 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -62.13 -38.88 90.64 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.53 111.498 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.14 -46.98 66.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.842 -0.617 . . . . 1.4 111.409 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.949 HD13 HG23 ' A' ' 18' ' ' THR . 4.9 mt -69.89 -30.43 67.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.36 . . . . 0.48 111.532 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.585 ' HA ' HD13 ' A' ' 53' ' ' LEU . 8.2 t -71.5 -29.69 65.1 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.433 0.635 . . . . 1.37 109.571 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.53 -39.07 32.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.439 -0.8 . . . . 3.07 109.929 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -75.73 -13.85 60.32 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.861 -0.609 . . . . 2.78 111.509 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -59.16 -31.74 69.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.981 0.42 . . . . 3.01 110.963 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.41 10.72 38.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.12 -0.491 . . . . 3.17 111.359 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.91 -43.56 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.305 -0.407 . . . . 3.96 111.094 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.442 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . 18.9 mt-10 . . . . . 0 C--O 1.244 0.783 0 CA-C-O 118.577 -0.725 . . . . 6.44 110.056 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--O 1.233 0.185 0 N-CA-C 109.666 -0.494 . . . . 6.57 109.666 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 40.28 55.23 2.78 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 123.99 0.807 . . . . 5.39 112.318 178.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -82.31 54.43 2.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.086 -0.506 . . . . 3.15 111.674 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.82 -12.1 59.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.274 0.559 . . . . 2.24 109.531 179.108 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.704 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -55.99 -29.69 60.69 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.253 -0.885 . . . . 0.91 111.008 178.52 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.2 ttp85 -63.16 -38.81 92.64 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.591 -0.522 . . . . 3.67 109.591 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -35.47 80.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.869 -0.605 . . . . 2.93 109.832 178.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.434 HG23 HD13 ' A' ' 84' ' ' LEU . 2.3 m -67.25 -49.16 65.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.468 -0.787 . . . . 0.38 110.224 178.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -67.66 -39.81 84.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.816 -0.629 . . . . 0.61 111.255 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -67.05 -36.87 83.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.47 -0.332 . . . . 2.35 110.69 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.499 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -68.2 -31.3 70.72 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.385 -0.598 . . . . 3.57 109.385 179.162 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.983 ' HB3' HD22 ' A' ' 46' ' ' LEU . 6.9 mt -75.59 -37.47 59.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.225 -0.898 . . . . 0.33 110.086 178.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -69.51 -35.41 75.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.205 0.526 . . . . 3.33 110.367 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -37.89 58.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.796 -0.638 . . . . 2.36 110.062 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.661 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -72.25 -35.4 68.79 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.552 -0.536 . . . . 0.28 109.552 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.538 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 43.4 t -66.52 -40.83 89.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.86 111.215 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 mp -76.54 -30.87 57.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.783 0.325 . . . . 0.6 111.166 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -76.32 -54.44 6.77 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.138 -0.483 . . . . 1.31 110.545 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.406 ' HG ' HD22 ' A' ' 25' ' ' LEU . 24.2 mt -61.35 -40.29 93.71 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 120.866 0.365 . . . . 0.49 110.341 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.3 -29.15 70.6 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.88 -0.676 . . . . 0.65 112.905 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -95.82 -13.09 24.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 117.258 0.529 . . . . 1.94 110.702 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -94.2 -5.88 46.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.519 0.676 . . . . 3.82 110.344 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 17.1 mtp -93.96 154.68 17.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.395 -0.821 . . . . 1.84 109.999 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 47.8 t -121.57 115.86 30.85 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.643 -0.502 . . . . 1.87 109.643 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 6.5 Cg_endo -85.93 156.61 56.86 Favored 'Cis proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.446 -1.481 . . . . 1.86 112.084 0.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_exo -46.74 117.83 2.32 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.901 2.401 . . . . 1.42 112.28 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 t -71.39 -34.48 53.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.012 -0.995 . . . . 2.02 111.81 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.17 -68.15 3.61 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.676 -0.969 . . . . 1.27 110.676 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -111.55 81.65 1.48 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.479 -0.934 . . . . 2.13 108.479 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.659 ' HZ ' ' HB2' ' A' ' 76' ' ' TYR . 37.3 t80 -56.89 -48.81 77.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.247 -0.888 . . . . 0.52 110.799 -178.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.732 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 2.2 tpp -136.38 122.05 13.45 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.35 -0.611 . . . . 0.28 109.35 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -56.73 144.16 87.65 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.775 2.316 . . . . 0.29 112.191 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -39.32 63.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.824 -0.626 . . . . 1.51 111.89 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.626 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -63.41 -40.65 97.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.385 -0.37 . . . . 0.57 111.263 179.866 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.2 mm -71.71 -36.63 59.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.26 -0.427 . . . . 0.34 110.777 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.983 HD22 ' HB3' ' A' ' 22' ' ' LEU . 76.1 mt -63.36 -40.46 97.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.302 -0.408 . . . . 0.26 110.807 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -64.01 -48.24 77.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.97 111.629 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.626 ' HG2' ' O ' ' A' ' 44' ' ' SER . 12.9 ptpt -71.74 -40.67 69.23 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.797 -0.361 . . . . 0.77 111.837 -179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -29.01 68.51 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.996 -0.282 . . . . 1.07 111.017 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.07 -32.89 26.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.835 0.35 . . . . 0.22 111.155 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.704 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -76.92 -37.18 55.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.184 -0.462 . . . . 0.3 111.485 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.2 mp -94.95 -35.21 5.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.98 -0.554 . . . . 0.37 111.209 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.564 HD13 ' HA ' ' A' ' 85' ' ' SER . 18.6 mt 50.61 72.38 1.25 Allowed Pre-proline 0 N--CA 1.465 0.319 0 O-C-N 123.583 0.552 . . . . 0.41 110.813 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.454 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 11.8 Cg_endo -91.81 106.74 0.25 Allowed 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.575 2.85 . . . . 0.48 113.373 -178.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.44 ' HG2' HG22 ' A' ' 81' ' ' ILE . 34.9 mmm -99.86 30.7 3.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.635 0.255 . . . . 1.66 111.069 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.6 146.2 22.06 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.217 -0.66 . . . . 2.68 109.217 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -54.16 -44.65 71.65 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 113.428 0.899 . . . . 2.68 113.428 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.54 -33.94 75.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.366 0.603 . . . . 1.02 111.32 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.97 -30.34 50.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.002 -0.544 . . . . 0.62 110.906 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.477 ' HD1' ' HA ' ' A' ' 60' ' ' PHE . 0.1 OUTLIER -59.36 -25.14 63.98 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.821 0.343 . . . . 0.46 111.91 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.04 -24.88 64.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.54 . . . . 0.67 112.001 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.6 p -70.02 -13.66 62.33 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.085 0.469 . . . . 1.13 111.491 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.487 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 49.2 mt -80.53 11.2 3.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.154 -0.476 . . . . 0.68 110.537 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.8 38.08 8.24 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 109.795 -1.322 . . . . 1.61 109.795 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.0 p 49.35 78.49 0.09 Allowed 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.743 0.817 . . . . 2.55 111.306 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.527 HG21 ' HE2' ' A' ' 74' ' ' PHE . 10.2 m -59.89 133.05 25.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.792 -0.64 . . . . 0.89 111.005 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' HB3' ' HG2' ' A' ' 69' ' ' LYS . 2.3 tt0 -68.17 162.43 24.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.274 -0.875 . . . . 2.42 110.342 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.427 ' O ' ' HD2' ' A' ' 72' ' ' ARG . 5.0 t70 -59.69 -36.12 75.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.711 -0.222 . . . . 1.72 111.41 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -59.03 -26.63 64.74 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.856 0.36 . . . . 1.97 110.654 179.391 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.422 ' O ' ' HD3' ' A' ' 73' ' ' ARG . 96.6 m-85 -84.49 -31.42 24.51 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.506 -0.553 . . . . 1.29 109.506 178.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.543 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -67.95 -40.09 83.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.252 -0.885 . . . . 2.55 111.576 179.588 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.427 ' HD2' ' O ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -56.3 -44.65 80.09 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.606 0.595 . . . . 4.38 112.606 -178.275 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.422 ' HD3' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -93.33 -4.32 51.85 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.464 -0.494 . . . . 1.44 109.795 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.543 ' HB2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -58.79 -35.28 72.56 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.807 -0.633 . . . . 0.36 110.979 179.208 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.738 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -59.04 -23.16 61.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.631 -0.713 . . . . 1.72 111.992 -179.574 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.659 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 74.0 m-85 -78.02 -6.93 56.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.885 0.374 . . . . 0.99 110.894 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.732 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.8 OUTLIER -113.43 -17.6 12.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.09 0.471 . . . . 0.27 110.159 179.141 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.738 ' HD3' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -54.65 -29.3 52.05 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.007 0.743 . . . . 1.37 113.007 -178.703 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.46 -34.36 70.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.737 0.303 . . . . 0.56 110.591 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.67 -39.74 15.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.715 -0.221 . . . . 0.53 111.019 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 77' ' ' PHE . 63.4 mt -58.45 -43.09 85.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.257 -0.429 . . . . 0.55 110.082 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.65 88.02 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.779 -0.646 . . . . 0.53 111.849 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -76.63 -46.48 25.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.245 -0.434 . . . . 1.4 111.62 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.434 HD13 HG23 ' A' ' 18' ' ' THR . 21.5 mt -61.92 -30.71 71.08 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 112.271 0.471 . . . . 0.48 112.271 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.564 ' HA ' HD13 ' A' ' 53' ' ' LEU . 2.5 p -74.08 -27.49 60.93 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 120.844 0.354 . . . . 1.37 110.63 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -97.96 7.33 46.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 3.07 110.84 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.09 1.87 3.57 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.421 -0.354 . . . . 2.78 111.44 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.463 ' HE ' ' HB3' ' A' ' 88' ' ' ARG . 1.3 ttp180 -61.81 122.03 14.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 3.01 110.96 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m 68.74 -56.9 0.52 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.21 1.004 . . . . 3.17 111.776 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.42 -56.41 0.31 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.801 -0.444 . . . . 3.96 109.801 179.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 . . . . . 0 C--O 1.242 0.7 0 CA-C-N 115.507 -0.77 . . . . 6.44 109.401 179.579 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.21 0.529 . . . . 6.57 110.559 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.8 mt -91.2 42.92 1.12 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.208 0.528 . . . . 5.39 111.431 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -86.51 37.3 0.73 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.462 -0.79 . . . . 3.15 109.849 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -67.64 -44.49 77.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.248 -0.887 . . . . 2.24 112.241 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -40.25 93.62 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 121.125 -0.23 . . . . 0.91 111.21 -178.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -39.16 87.03 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.575 -0.528 . . . . 3.67 109.575 178.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -33.4 75.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.904 -0.589 . . . . 2.93 110.108 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.514 HG21 HD21 ' A' ' 53' ' ' LEU . 21.9 m -63.11 -53.29 55.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.514 -0.766 . . . . 0.38 110.074 178.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.436 ' CE1' ' HG3' ' A' ' 47' ' ' LYS . 44.6 t80 -63.14 -41.55 99.32 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.975 0.417 . . . . 0.61 110.543 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -64.41 -39.4 93.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.259 -0.428 . . . . 2.35 111.403 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -69.31 -34.45 74.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.365 . . . . 3.57 110.691 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.651 ' HB3' HD22 ' A' ' 46' ' ' LEU . 6.9 mt -72.02 -34.44 68.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.795 -0.639 . . . . 0.33 109.568 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -72.62 -36.43 68.06 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.802 -0.635 . . . . 3.33 109.985 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.05 -37.71 78.7 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.026 -0.731 . . . . 2.36 109.026 178.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.577 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -69.1 -37.71 78.57 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.385 -0.825 . . . . 0.28 109.151 178.832 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.418 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.4 OUTLIER -64.76 -36.29 83.84 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.495 -0.775 . . . . 0.86 111.377 179.632 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 mp -74.16 -30.49 62.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.185 0.517 . . . . 0.6 110.215 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -77.7 -59.61 2.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.894 -0.594 . . . . 1.31 111.345 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.413 ' HG ' HD22 ' A' ' 25' ' ' LEU . 53.1 mt -62.54 -33.53 75.1 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.01 0.433 . . . . 0.49 111.066 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.99 -44.38 97.48 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.885 -0.674 . . . . 0.65 113.857 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -83.33 -13.37 55.19 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.224 0.535 . . . . 1.94 110.99 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -90.28 -6.15 55.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.302 0.572 . . . . 3.82 110.743 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.3 ttm -96.76 152.49 18.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.47 -0.786 . . . . 1.84 109.208 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 t -132.1 120.68 17.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.351 -0.24 . . . . 1.87 110.351 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -69.3 147.2 83.2 Favored 'Cis proline' 0 C--O 1.234 0.312 0 C-N-CA 123.8 -1.333 . . . . 1.86 111.451 -0.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.82 130.12 38.67 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.33 2.02 . . . . 1.42 112.787 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 37' ' ' VAL . 0.9 OUTLIER -75.74 -21.14 15.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.413 -0.812 . . . . 2.02 110.446 -179.605 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.1 -74.26 1.66 Allowed Glycine 0 CA--C 1.508 -0.372 0 N-CA-C 109.452 -1.459 . . . . 1.27 109.452 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -111.87 75.2 0.9 Allowed 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.048 -1.093 . . . . 2.13 108.048 176.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.546 ' HZ ' ' HB2' ' A' ' 76' ' ' TYR . 13.4 t80 -22.38 -72.49 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 O-C-N 124.682 1.239 . . . . 0.52 111.459 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.883 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 8.3 tpp -108.89 133.65 20.62 Favored Pre-proline 0 N--CA 1.443 -0.8 0 N-CA-C 109.183 -0.673 . . . . 0.28 109.183 177.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.72 146.45 92.19 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.193 1.929 . . . . 0.29 112.175 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.33 -39.28 56.63 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.939 -0.573 . . . . 1.51 111.699 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.52 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -63.51 -47.0 83.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.799 -0.637 . . . . 0.57 111.356 -179.679 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.532 ' O ' ' HB3' ' A' ' 49' ' ' MET . 1.4 mm -67.24 -38.75 81.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.344 -0.389 . . . . 0.34 111.143 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.834 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 60.8 mt -60.87 -37.49 82.31 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.784 0.326 . . . . 0.26 111.087 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.436 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 12.7 mtmt -69.26 -46.33 67.52 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.464 0.542 . . . . 0.97 112.464 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 44' ' ' SER . 7.9 ptpt -69.5 -40.17 77.16 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.094 0.474 . . . . 0.77 110.634 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.834 ' SD ' ' HA ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -65.69 -31.69 72.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.786 -0.643 . . . . 1.07 110.704 179.857 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.421 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -80.5 -33.24 36.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.641 0.258 . . . . 0.22 111.362 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.0 -43.59 29.08 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.067 -0.253 . . . . 0.3 111.493 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 mp -84.57 -34.58 9.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.441 -0.345 . . . . 0.37 110.498 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.726 HD13 ' HA ' ' A' ' 85' ' ' SER . 15.5 mt 52.89 72.09 1.26 Allowed Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.75 -0.659 . . . . 0.41 111.429 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.81 106.76 2.19 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 123.081 2.521 . . . . 0.48 112.31 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.6 mtp -82.76 -29.14 29.9 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.664 -0.698 . . . . 1.66 110.851 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -120.76 169.4 10.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.063 -0.517 . . . . 2.68 110.974 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.22 -28.77 68.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.048 -0.524 . . . . 2.68 110.679 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -35.57 77.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.451 0.643 . . . . 1.02 109.44 178.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.78 -26.46 62.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.518 -0.764 . . . . 0.62 110.656 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.666 ' HE2' ' HE3' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -64.17 -25.01 67.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.677 -0.692 . . . . 0.46 111.278 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.86 -25.86 68.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.434 -0.348 . . . . 0.67 111.516 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.99 0.47 31.48 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.751 -0.38 . . . . 1.13 111.698 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' A' ' 49' ' ' MET . 5.7 mt -83.3 -18.86 37.56 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.475 0.655 . . . . 0.68 109.299 178.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.08 -102.42 0.93 Allowed Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 115.283 -0.872 . . . . 1.61 111.035 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.5 106.53 4.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.651 0.225 . . . . 2.55 111.3 179.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.494 HG11 ' HE2' ' A' ' 74' ' ' PHE . 16.7 m -109.95 122.46 64.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.729 -0.471 . . . . 0.89 109.729 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -68.28 168.18 12.92 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.168 -0.469 . . . . 2.42 110.838 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -54.5 -38.43 66.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.751 -0.659 . . . . 1.72 111.104 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.69 -27.7 69.39 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.895 0.379 . . . . 1.97 111.013 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.488 ' O ' ' HD2' ' A' ' 73' ' ' ARG . 73.9 m-85 -81.36 -37.6 27.98 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.231 -0.44 . . . . 1.29 110.216 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.449 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 14.2 mtt85 -69.5 -34.94 75.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.266 0.555 . . . . 2.55 109.842 178.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -34.25 77.55 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.466 -0.788 . . . . 4.38 111.718 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.488 ' HD2' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -99.07 -4.13 33.1 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.681 0.753 . . . . 1.44 110.109 179.413 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.648 ' HE1' ' HE3' ' A' ' 49' ' ' MET . 0.1 OUTLIER -68.28 -34.9 77.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.366 -0.833 . . . . 0.36 110.648 179.094 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.499 ' HA ' ' HG3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -59.5 -26.06 64.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.951 -0.568 . . . . 1.72 111.313 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.546 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 28.5 m-85 -76.81 -7.79 56.11 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.304 0.573 . . . . 0.99 110.241 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.883 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.3 OUTLIER -111.79 -18.48 12.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.306 -0.861 . . . . 0.27 111.059 179.32 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.666 ' HE3' ' HE2' ' A' ' 60' ' ' PHE . 2.7 mttp -57.59 -32.2 66.94 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.323 0.86 . . . . 1.37 113.323 -177.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.3 -31.11 65.41 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.783 -0.367 . . . . 0.56 111.665 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 m -90.48 -40.0 12.27 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.906 -0.588 . . . . 0.53 111.362 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 77' ' ' PHE . 50.0 mt -59.41 -43.62 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.777 0.323 . . . . 0.55 110.365 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.98 -34.2 77.56 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.223 -0.444 . . . . 0.53 111.458 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -70.53 -40.63 73.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.348 -0.387 . . . . 1.4 110.486 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.496 HD13 HG23 ' A' ' 18' ' ' THR . 13.2 mt -70.27 -31.43 68.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.403 0.52 . . . . 0.48 112.403 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.726 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -73.16 -35.09 66.38 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.796 0.332 . . . . 1.37 111.34 -179.104 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -71.55 -38.32 71.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.338 -0.392 . . . . 3.07 110.063 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -27.23 61.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.08 -0.509 . . . . 2.78 110.699 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.426 ' HD3' HD12 ' A' ' 53' ' ' LEU . 5.1 ttp180 -80.75 -6.8 58.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.24 -0.436 . . . . 3.01 111.245 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.6 m -87.81 -13.22 42.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.273 0.559 . . . . 3.17 109.685 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.468 ' HB2' ' H ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -118.38 -132.27 0.31 Allowed 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.647 -0.706 . . . . 3.96 110.499 179.164 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.468 ' H ' ' HB2' ' A' ' 90' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 117.828 -1.082 . . . . 6.44 108.88 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.337 0.589 . . . . 6.57 111.171 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.4 mt -72.93 -8.54 56.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.584 -0.735 . . . . 5.39 111.252 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.52 13.42 12.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.855 -0.611 . . . . 3.15 110.03 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -60.67 -18.7 55.49 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.707 -0.679 . . . . 2.24 110.967 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -57.98 -31.18 66.67 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.182 0.515 . . . . 0.91 110.331 179.806 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' HE ' ' CD ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -66.3 -38.74 88.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.617 -0.719 . . . . 3.67 110.177 179.195 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.42 -36.0 80.39 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.064 -0.516 . . . . 2.93 109.826 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.592 HG23 HD13 ' A' ' 84' ' ' LEU . 4.3 m -60.46 -51.95 67.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.732 -0.667 . . . . 0.38 110.94 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -62.24 -42.03 98.96 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.961 -0.563 . . . . 0.61 110.464 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' CD ' ' HE ' ' A' ' 16' ' ' ARG . 9.7 mt-10 -62.46 -46.81 86.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 2.35 110.289 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.516 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -61.19 -35.19 76.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.7 -0.682 . . . . 3.57 111.258 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.771 ' HB3' HD22 ' A' ' 46' ' ' LEU . 3.3 mt -73.01 -36.94 67.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.557 -0.292 . . . . 0.33 111.038 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -71.63 -38.99 70.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.072 0.463 . . . . 3.33 110.053 179.404 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.86 -34.02 73.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.908 -0.587 . . . . 2.36 110.096 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.693 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -75.8 -32.26 59.79 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.336 -0.616 . . . . 0.28 109.336 179.103 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.756 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -64.4 -36.68 84.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.432 0.634 . . . . 0.86 109.649 179.138 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mp -77.7 -29.9 51.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.831 -0.622 . . . . 0.6 110.809 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -76.84 -60.27 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 1.31 111.124 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.517 ' CD1' HD13 ' A' ' 25' ' ' LEU . 53.5 mt -59.81 -35.11 74.03 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 120.589 0.233 . . . . 0.49 111.097 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.25 -34.52 84.87 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.878 -0.677 . . . . 0.65 112.84 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -95.68 -16.46 21.99 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.268 0.556 . . . . 1.94 110.005 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.35 -8.21 59.45 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.821 -0.627 . . . . 3.82 109.499 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.41 144.29 26.47 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.991 -1.004 . . . . 1.84 109.393 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.3 t -131.31 110.87 15.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.034 -0.728 . . . . 1.87 109.034 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 5.9 Cg_exo -73.89 152.24 98.01 Favored 'Cis proline' 0 C--N 1.344 0.339 0 C-N-CA 123.146 -1.606 . . . . 1.86 112.7 0.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' PRO . 53.6 Cg_exo -55.58 144.54 74.06 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.202 2.602 . . . . 1.42 112.685 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.0 t -85.98 -31.06 6.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.557 -0.747 . . . . 2.02 111.028 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.12 -79.38 1.72 Allowed Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 110.011 -1.236 . . . . 1.27 110.011 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -102.04 87.1 3.01 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.925 -1.139 . . . . 2.13 107.925 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.756 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 5.0 t80 -57.78 -86.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.48 -0.782 . . . . 0.52 110.944 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.741 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 23.0 tpp -111.14 135.5 20.9 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 109.884 -0.413 . . . . 0.28 109.884 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.584 ' HG2' ' HE2' ' A' ' 70' ' ' TYR . 19.1 Cg_exo -65.75 147.92 86.18 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.603 2.202 . . . . 0.29 111.525 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.464 ' HA ' HD12 ' A' ' 46' ' ' LEU . 31.1 t70 -52.93 -38.27 61.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.649 -0.705 . . . . 1.51 111.417 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -55.18 37.38 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.666 -0.697 . . . . 0.57 111.316 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.407 ' HA ' ' HG3' ' A' ' 48' ' ' LYS . 8.9 mm -63.26 -38.47 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.535 -0.302 . . . . 0.34 111.183 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.835 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 89.0 mt -56.61 -35.93 68.85 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.26 110.874 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -75.31 -44.19 46.8 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.893 0.701 . . . . 0.97 112.893 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HB2' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -70.56 -40.79 73.15 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 119.888 -0.725 . . . . 0.77 110.049 179.698 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.835 ' SD ' ' HA ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -65.84 -29.51 69.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.641 -0.709 . . . . 1.07 110.643 179.37 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.24 -29.34 60.2 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.965 0.412 . . . . 0.22 110.914 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.55 ' HA ' HD21 ' A' ' 15' ' ' LEU . . . -86.33 -44.91 11.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.291 -0.413 . . . . 0.3 111.91 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -80.82 -36.33 15.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.695 0.284 . . . . 0.37 111.101 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.583 HD13 ' HA ' ' A' ' 85' ' ' SER . 12.4 mt 55.64 68.93 2.13 Favored Pre-proline 0 C--O 1.236 0.347 0 CA-C-O 121.309 0.576 . . . . 0.41 110.083 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -80.38 113.19 2.86 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 123.395 2.73 . . . . 0.48 113.326 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.51 ' HG2' ' HA ' ' A' ' 82' ' ' ALA . 40.8 mtp -92.68 -23.32 19.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.096 -0.502 . . . . 1.66 111.075 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -119.13 164.12 16.03 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.246 -0.433 . . . . 2.68 110.891 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.97 -33.12 73.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.475 -0.33 . . . . 2.68 111.672 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -38.16 89.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.238 0.542 . . . . 1.02 110.508 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.82 -26.83 63.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.375 -0.829 . . . . 0.62 109.967 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.427 ' HD1' ' HA ' ' A' ' 60' ' ' PHE . 1.2 m-30 -67.57 -23.81 65.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.741 -0.663 . . . . 0.46 110.653 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.73 -27.03 68.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.449 -0.341 . . . . 0.67 110.955 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.26 -4.15 54.64 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.384 -0.371 . . . . 1.13 111.821 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.428 HD22 ' HB2' ' A' ' 48' ' ' LYS . 1.4 mt -79.02 -11.76 60.01 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.725 0.774 . . . . 0.68 108.988 177.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.42 -99.39 0.79 Allowed Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 110.326 -1.11 . . . . 1.61 110.326 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -153.72 75.58 1.04 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.055 -0.35 . . . . 2.55 110.055 178.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.463 HG11 ' HE2' ' A' ' 74' ' ' PHE . 13.6 m -69.8 138.18 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.629 -0.428 . . . . 0.89 110.331 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.496 ' HB2' ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -70.24 159.92 33.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.226 -0.443 . . . . 2.42 110.095 179.812 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.32 -32.4 71.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.97 -0.559 . . . . 1.72 110.621 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -28.77 67.15 Favored 'General case' 0 C--O 1.23 0.077 0 N-CA-C 109.679 -0.489 . . . . 1.97 109.679 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.584 ' HE2' ' HG2' ' A' ' 42' ' ' PRO . 3.2 m-85 -75.12 -33.37 61.56 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 109.008 -0.738 . . . . 1.29 109.008 177.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 -64.07 -31.75 73.05 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.401 -0.818 . . . . 2.55 110.92 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.721 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -63.22 -65.94 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.109 -0.496 . . . . 4.38 111.589 -179.838 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.679 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -69.26 -4.06 16.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.18 0.514 . . . . 1.44 110.645 179.809 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.463 ' HE2' HG11 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -68.31 -38.86 82.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.782 -0.645 . . . . 0.36 110.98 178.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.721 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 6.1 pttt -63.89 -24.81 67.88 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.941 -0.572 . . . . 1.72 111.372 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.679 ' CD2' ' HA ' ' A' ' 73' ' ' ARG . 12.0 m-85 -77.92 -10.63 59.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.016 0.436 . . . . 0.99 110.198 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.741 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.1 OUTLIER -101.46 -17.45 16.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.4 -0.818 . . . . 0.27 110.375 179.456 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -29.61 67.55 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.582 -0.736 . . . . 1.37 112.238 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.2 77.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.117 0.484 . . . . 0.56 110.712 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.97 -43.12 11.98 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.066 -0.516 . . . . 0.53 111.845 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 77' ' ' PHE . 56.5 mt -59.3 -39.02 77.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.092 -0.504 . . . . 0.55 110.683 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.51 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -65.66 -44.22 87.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.525 -0.307 . . . . 0.53 111.206 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.46 -44.99 89.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.092 0.472 . . . . 1.4 110.523 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.592 HD13 HG23 ' A' ' 18' ' ' THR . 5.7 mt -68.51 -33.32 73.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.128 -0.487 . . . . 0.48 111.356 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.583 ' HA ' HD13 ' A' ' 53' ' ' LEU . 3.3 t -73.24 -25.61 60.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.419 0.628 . . . . 1.37 109.983 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -77.34 -54.73 6.1 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.487 -0.778 . . . . 3.07 110.573 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.12 -22.71 66.97 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.539 0.94 . . . . 2.78 113.539 -178.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.577 ' HG2' ' HA ' ' A' ' 85' ' ' SER . 0.0 OUTLIER -76.54 -17.17 59.39 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.058 0.392 . . . . 3.01 112.058 -179.544 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.73 -46.3 0.8 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.732 0.642 . . . . 3.17 112.732 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 38.2 m -83.81 50.71 1.87 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.116 0.484 . . . . 3.96 111.796 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.886 0 N-CA-C 108.576 -0.898 . . . . 6.44 108.576 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.492 0 CA-C-O 120.489 0.185 . . . . 6.57 111.289 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.8 -33.8 76.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.528 0.68 . . . . 5.39 110.163 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -101.0 89.84 3.97 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.323 -0.853 . . . . 3.15 111.632 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.05 -24.97 65.14 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.697 -0.853 . . . . 2.24 108.697 178.188 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.878 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -56.41 -26.77 54.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.431 -1.258 . . . . 0.91 110.592 178.704 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.4 -39.29 79.3 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.699 -0.682 . . . . 3.67 110.36 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -35.61 70.98 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.317 -0.401 . . . . 2.93 110.23 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.72 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.5 m -60.83 -52.12 66.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.819 -0.628 . . . . 0.38 109.843 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -64.44 -38.77 92.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.032 -0.986 . . . . 0.61 110.662 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -66.5 -44.92 81.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.545 -0.298 . . . . 2.35 111.369 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -32.73 74.2 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.974 0.416 . . . . 3.57 110.189 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.721 ' HB3' HD22 ' A' ' 46' ' ' LEU . 5.3 mt -72.03 -36.41 69.65 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.657 -0.497 . . . . 0.33 109.657 178.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -69.71 -37.48 76.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.412 -0.588 . . . . 3.33 109.412 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -70.66 -37.34 73.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.305 -0.861 . . . . 2.36 110.42 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.556 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -75.89 -37.03 59.26 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.212 -0.662 . . . . 0.28 109.212 -179.786 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.625 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -63.97 -32.21 73.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.523 -0.762 . . . . 0.86 110.349 179.209 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.38 -33.02 49.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.006 -0.543 . . . . 0.6 110.195 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -73.78 -60.2 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.772 -0.649 . . . . 1.31 111.447 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.546 HD11 HD13 ' A' ' 25' ' ' LEU . 9.0 mt -61.61 -36.48 80.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.779 0.323 . . . . 0.49 110.808 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.91 -27.98 72.87 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.777 -0.725 . . . . 0.65 113.214 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.99 -14.06 19.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.213 0.53 . . . . 1.94 110.37 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -90.18 -4.98 56.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.16 0.505 . . . . 3.82 110.85 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.9 ttp -93.48 160.4 14.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.0 -0.545 . . . . 1.84 110.556 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 60.4 t -127.84 112.86 20.49 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.474 -0.33 . . . . 1.87 110.642 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 71.9 Cg_endo -80.13 160.88 85.68 Favored 'Cis proline' 0 C--O 1.237 0.453 0 C-N-CA 122.945 -1.69 . . . . 1.86 111.722 -0.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -52.54 126.61 21.39 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.329 2.02 . . . . 1.42 111.726 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.422 HG23 ' H ' ' A' ' 37' ' ' VAL . 2.4 t -69.07 -43.81 81.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.334 -0.848 . . . . 2.02 111.12 -179.127 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.3 -67.74 3.57 Favored Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 110.677 -0.969 . . . . 1.27 110.677 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -102.87 60.34 0.79 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.155 0.502 . . . . 2.13 109.738 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.625 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 9.4 t80 -38.5 -79.96 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.86 -1.063 . . . . 0.52 111.607 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.629 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -108.35 126.62 29.19 Favored Pre-proline 0 N--CA 1.442 -0.834 0 N-CA-C 108.802 -0.814 . . . . 0.28 108.802 178.51 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.434 ' HG2' ' HE1' ' A' ' 70' ' ' TYR . 37.5 Cg_exo -58.48 144.68 96.58 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.719 2.279 . . . . 0.29 112.539 -179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.41 -38.84 60.01 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.788 -0.642 . . . . 1.51 111.184 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.538 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -62.3 -43.21 99.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.57 111.111 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.554 ' O ' ' HB3' ' A' ' 49' ' ' MET . 16.2 mm -72.06 -37.18 59.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.34 110.978 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.721 HD22 ' HB3' ' A' ' 22' ' ' LEU . 45.8 mt -64.16 -37.17 86.51 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.028 0.442 . . . . 0.26 110.707 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -67.44 -50.63 58.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.025 -0.534 . . . . 0.97 112.027 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -69.69 -39.87 76.67 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.612 -0.435 . . . . 0.77 111.621 -179.117 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.554 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -65.48 -31.13 72.04 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.662 -0.245 . . . . 1.07 110.86 -179.348 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.98 -30.4 55.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.989 0.423 . . . . 0.22 110.734 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.878 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -79.93 -40.62 27.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.882 -0.599 . . . . 0.3 112.093 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.433 HG12 ' HB ' ' A' ' 62' ' ' THR . 1.1 mp -87.49 -35.78 8.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.547 -0.297 . . . . 0.37 111.38 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.631 HD13 ' HA ' ' A' ' 85' ' ' SER . 10.5 mt 52.7 69.26 2.46 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 115.81 -0.632 . . . . 0.41 111.328 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.56 110.67 2.68 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.741 2.961 . . . . 0.48 112.371 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 22.1 mtp -77.2 -18.37 57.79 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.393 0.516 . . . . 1.66 112.393 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -142.08 172.76 12.24 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.752 -0.379 . . . . 2.68 111.294 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.453 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 1.1 t70 -58.97 -39.36 81.49 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.914 -0.585 . . . . 2.68 111.98 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -39.38 90.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.038 0.447 . . . . 1.02 110.47 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.23 -25.89 66.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.808 -0.633 . . . . 0.62 110.337 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.453 ' HD2' ' HA ' ' A' ' 57' ' ' ASP . 3.8 m-85 -64.97 -21.97 66.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.589 -0.732 . . . . 0.46 111.469 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.75 -27.0 48.51 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.608 0.596 . . . . 0.67 112.608 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.433 ' HB ' HG12 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -77.14 -0.72 25.96 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.202 0.445 . . . . 1.13 112.202 179.816 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.0 mt -87.4 9.39 20.83 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.86 -0.792 . . . . 0.68 108.86 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.58 -78.71 1.89 Allowed Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 110.974 -0.85 . . . . 1.61 110.974 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.89 111.92 1.0 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.654 0.264 . . . . 2.55 110.712 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.2 m -107.71 114.85 47.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.121 0.486 . . . . 0.89 110.014 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.528 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 12.1 mt-10 -59.16 161.41 5.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.803 -0.635 . . . . 2.42 111.47 -178.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -36.5 70.12 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.049 0.452 . . . . 1.72 109.849 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.475 ' HA ' ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -61.97 -26.01 67.96 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.929 -0.578 . . . . 1.97 110.85 179.074 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.528 ' CD2' ' HB2' ' A' ' 67' ' ' GLU . 57.1 m-85 -87.12 -33.4 19.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.372 -0.376 . . . . 1.29 110.992 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.494 ' O ' ' HB2' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -63.93 -34.16 77.35 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-N 116.236 -0.438 . . . . 2.55 111.24 -179.697 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.565 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 6.8 mtt180 -59.55 -40.75 88.25 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 120.748 -0.381 . . . . 4.38 110.833 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.57 ' HA ' ' HD2' ' A' ' 76' ' ' TYR . 3.9 mpt_? -80.73 -7.18 59.28 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 120.367 -0.533 . . . . 1.44 110.484 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.494 ' HB2' ' O ' ' A' ' 71' ' ' ARG . 0.3 OUTLIER -76.52 -34.35 58.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.519 -0.764 . . . . 0.36 110.459 179.494 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 13.4 pttt -63.77 -22.84 67.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 1.72 110.228 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.57 ' HD2' ' HA ' ' A' ' 73' ' ' ARG . 44.1 m-85 -87.54 -7.15 57.91 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.286 -0.415 . . . . 0.99 110.774 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.629 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 3.0 m-85 -113.89 -16.05 12.27 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.378 0.51 . . . . 0.27 112.378 -178.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.445 ' HA ' HD12 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -51.24 -35.36 36.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.161 0.8 . . . . 1.37 113.161 -177.399 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.6 -35.67 77.66 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.455 0.645 . . . . 0.56 110.486 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.55 -43.71 30.98 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.603 -0.726 . . . . 0.53 111.26 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 77' ' ' PHE . 12.3 mt -60.65 -37.97 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 116.058 -0.519 . . . . 0.55 110.16 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.83 -42.58 85.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.009 -0.542 . . . . 0.53 111.008 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.1 -51.45 63.92 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.736 -0.665 . . . . 1.4 110.842 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.72 HD22 ' HA ' ' A' ' 18' ' ' THR . 9.6 mt -65.64 -28.33 69.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.724 0.268 . . . . 0.48 111.724 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.631 ' HA ' HD13 ' A' ' 53' ' ' LEU . 2.7 t -73.18 -31.14 64.03 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.521 -0.548 . . . . 1.37 109.521 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.61 -30.03 62.73 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 108.731 -0.84 . . . . 3.07 108.731 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.489 ' HG3' ' HA ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -69.71 -32.73 71.47 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.652 -0.704 . . . . 2.78 109.604 178.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.59 ' HG3' ' N ' ' A' ' 89' ' ' SER . 0.1 OUTLIER -61.02 155.01 21.16 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.282 -0.636 . . . . 3.01 109.282 178.165 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.59 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 4.1 m 78.65 -12.46 1.08 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.734 0.814 . . . . 3.17 111.169 -178.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.13 -22.6 12.58 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.366 -0.605 . . . . 3.96 109.366 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.09 -0.957 . . . . 6.44 109.441 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 . . . . . 0 C--O 1.233 0.22 0 CA-C-O 121.781 0.801 . . . . 6.57 109.842 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.5 mt -84.78 6.49 24.27 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.923 -1.035 . . . . 5.39 111.441 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -76.51 55.49 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.376 0.608 . . . . 3.15 110.735 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.29 -15.72 59.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.647 -0.706 . . . . 2.24 110.376 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -33.53 69.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.204 0.526 . . . . 0.91 110.08 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.53 ' NH1' ' HB2' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -63.9 -37.92 89.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.298 -0.865 . . . . 3.67 110.451 179.331 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -43.59 96.35 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 120.958 0.409 . . . . 2.93 110.147 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.711 HG23 HD13 ' A' ' 84' ' ' LEU . 13.2 m -62.99 -50.15 71.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.545 -0.752 . . . . 0.38 110.791 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -59.56 -35.84 75.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.401 -0.818 . . . . 0.61 111.444 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.53 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 17.6 tp10 -66.48 -50.56 62.9 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.259 -0.428 . . . . 2.35 111.411 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -61.95 -32.27 72.68 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.818 0.342 . . . . 3.57 110.767 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.58 ' HB3' HD22 ' A' ' 46' ' ' LEU . 5.8 mt -73.14 -38.09 66.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.837 -0.619 . . . . 0.33 110.524 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -69.34 -40.76 77.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.343 -0.389 . . . . 3.33 110.341 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.01 -36.8 80.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.285 0.564 . . . . 2.36 110.059 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.541 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -72.57 -35.01 67.86 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.996 -0.547 . . . . 0.28 109.651 179.551 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.704 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -66.11 -33.19 75.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.684 -0.689 . . . . 0.86 110.424 179.695 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 mp -81.66 -32.2 31.92 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.603 -0.517 . . . . 0.6 109.603 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.76 -61.27 2.05 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.697 -0.683 . . . . 1.31 110.945 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.1 mt -68.49 -32.97 73.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.49 109.957 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.462 ' HA2' HG23 ' A' ' 37' ' ' VAL . . . -63.24 -44.52 96.91 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.579 -0.737 . . . . 0.65 113.447 -179.101 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -82.69 -12.5 57.54 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 117.677 0.738 . . . . 1.94 111.412 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 32' ' ' ARG . 3.0 ttm105 -91.05 -3.9 56.8 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.213 0.53 . . . . 3.82 110.065 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.4 ttm -92.23 156.11 17.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.912 -0.585 . . . . 1.84 109.881 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.7 t -131.72 113.93 15.35 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.616 -0.265 . . . . 1.87 110.471 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.06 150.61 95.96 Favored 'Cis proline' 0 C--O 1.238 0.51 0 C-N-CA 123.401 -1.499 . . . . 1.86 112.398 0.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.61 137.25 80.38 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.674 2.25 . . . . 1.42 112.373 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.462 HG23 ' HA2' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -91.61 118.13 36.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.51 -0.768 . . . . 2.02 110.751 -179.574 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.59 -21.24 79.66 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.404 -0.903 . . . . 1.27 111.205 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -140.54 75.59 1.51 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.558 -0.534 . . . . 2.13 109.558 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.704 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 34.2 t80 -48.59 -56.66 7.79 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 108.842 -0.799 . . . . 0.52 108.842 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.677 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 5.0 tpp -130.23 125.37 21.79 Favored Pre-proline 0 N--CA 1.445 -0.721 0 N-CA-C 107.498 -1.297 . . . . 0.28 107.498 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.47 ' HG2' ' HE1' ' A' ' 70' ' ' TYR . 37.2 Cg_exo -61.13 140.29 88.54 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.0 1.8 . . . . 0.29 112.289 -178.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.577 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.1 p-10 -50.35 -38.43 42.13 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.386 -0.37 . . . . 1.51 111.925 -179.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -60.83 -41.35 95.58 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.167 0.508 . . . . 0.57 110.92 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.442 ' O ' ' HB3' ' A' ' 49' ' ' MET . 6.0 mm -77.17 -37.36 25.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.909 -0.587 . . . . 0.34 110.274 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.868 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 47.9 mt -59.75 -35.15 73.99 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.877 0.37 . . . . 0.26 110.167 179.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 3.4 mttt -73.91 -44.84 53.85 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.071 -0.513 . . . . 0.97 112.294 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 44' ' ' SER . 4.9 ptpt -70.57 -39.19 74.04 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 119.515 -0.874 . . . . 0.77 110.507 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.868 ' SD ' ' HA ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -66.58 -31.93 72.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.307 -0.406 . . . . 1.07 110.437 179.197 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' N ' ' HG2' ' A' ' 49' ' ' MET . . . -76.83 -30.88 56.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.22 111.726 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.67 -40.73 33.16 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.075 0.398 . . . . 0.3 112.075 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -89.51 -42.19 14.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.616 -0.266 . . . . 0.37 111.484 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 53' ' ' LEU . 14.9 mt 54.94 75.4 0.61 Allowed Pre-proline 0 C--N 1.328 -0.345 0 O-C-N 123.797 0.686 . . . . 0.41 109.85 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.461 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 1.8 Cg_endo -79.01 112.98 3.17 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.752 2.301 . . . . 0.48 112.537 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.524 ' SD ' ' HB3' ' A' ' 85' ' ' SER . 72.0 mtp -91.8 12.28 21.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.988 -0.551 . . . . 1.66 110.679 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -143.12 149.57 38.29 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.806 -0.634 . . . . 2.68 110.413 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -34.67 78.87 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.535 0.522 . . . . 2.68 110.915 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.28 -37.44 77.85 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.786 -0.82 . . . . 1.02 108.786 178.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.93 -30.09 71.06 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 115.124 -0.944 . . . . 0.62 110.7 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.461 ' CD1' ' HG2' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -57.48 -25.22 59.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.779 -0.646 . . . . 0.46 111.257 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.84 -22.53 64.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.67 111.654 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.5 p -66.23 -16.63 64.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.761 0.315 . . . . 1.13 111.752 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.3 mt -84.04 -5.8 59.3 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.007 0.432 . . . . 0.68 109.906 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.24 -152.75 17.49 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.305 -1.118 . . . . 1.61 110.305 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.55 69.54 1.24 Allowed 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 117.21 0.505 . . . . 2.55 110.055 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.4 m -55.45 136.11 18.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.019 -0.537 . . . . 0.89 110.945 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.676 ' H ' ' HD2' ' A' ' 70' ' ' TYR . 4.2 mt-10 -77.38 163.96 25.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.592 -0.731 . . . . 2.42 110.19 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -58.17 -32.82 68.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.052 0.453 . . . . 1.72 110.12 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' A' ' 72' ' ' ARG . 2.9 pttt -61.05 -27.29 68.23 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.793 -0.64 . . . . 1.97 110.666 178.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.676 ' HD2' ' H ' ' A' ' 67' ' ' GLU . 75.9 m-85 -87.36 -33.95 18.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.051 0.453 . . . . 1.29 109.802 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.521 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 5.9 mmm180 -63.5 -33.36 75.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.194 -0.912 . . . . 2.55 111.248 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.684 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 50.9 mtp180 -54.27 -55.24 30.19 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-O 121.079 0.466 . . . . 4.38 110.793 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.599 ' HA ' ' HD2' ' A' ' 76' ' ' TYR . 4.3 mpt_? -75.2 -8.61 57.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.731 -0.668 . . . . 1.44 110.932 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.521 ' HB2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -72.76 -37.7 67.56 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.688 -0.687 . . . . 0.36 110.433 179.02 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.684 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 7.0 pttt -67.74 -22.09 65.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.173 -0.467 . . . . 1.72 110.521 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.599 ' HD2' ' HA ' ' A' ' 73' ' ' ARG . 20.5 m-85 -89.73 -4.56 57.64 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.93 0.395 . . . . 0.99 110.7 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.677 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 1.3 m-85 -112.59 -13.81 13.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.861 -0.609 . . . . 0.27 112.145 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.12 -29.29 44.43 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 114.087 1.143 . . . . 1.37 114.087 -177.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.81 -34.85 51.91 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.764 -0.585 . . . . 0.56 111.146 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.81 -48.94 13.81 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.79 -0.641 . . . . 0.53 110.754 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 97.9 mt -57.15 -38.68 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.327 -0.397 . . . . 0.55 110.875 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -70.18 -46.91 63.65 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.01 0.433 . . . . 0.53 110.408 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.989 ' HA ' ' HD3' ' A' ' 86' ' ' LYS . 27.8 t0 -61.21 -42.59 98.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.882 -0.599 . . . . 1.4 111.643 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.711 HD13 HG23 ' A' ' 18' ' ' THR . 18.3 mt -59.81 -29.59 68.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.55 -0.296 . . . . 0.48 111.399 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.524 ' HB3' ' SD ' ' A' ' 55' ' ' MET . 3.5 t -78.84 -29.05 44.41 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.84 -0.43 . . . . 1.37 109.84 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.989 ' HD3' ' HA ' ' A' ' 83' ' ' ASP . 1.1 mtpm? -69.82 -42.85 73.09 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.366 -0.605 . . . . 3.07 109.366 178.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -26.8 63.48 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.755 -0.657 . . . . 2.78 109.953 178.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -80.79 46.82 0.91 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.396 0.617 . . . . 3.01 110.463 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -27.98 60.92 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.784 -0.45 . . . . 3.17 109.784 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m 68.51 26.48 6.49 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.229 -0.896 . . . . 3.96 110.608 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 . . . . . 0 C--O 1.252 1.196 0 CA-C-N 115.328 -0.851 . . . . 6.44 109.368 178.677 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.44 -0.95 0 N-CA-C 108.1 -1.074 . . . . 6.57 108.1 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.489 HD13 HD13 ' A' ' 15' ' ' LEU . 16.1 mt -91.94 48.85 1.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.942 -1.026 . . . . 5.39 109.741 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -36.78 82.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.436 -0.802 . . . . 3.15 111.413 -179.076 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.568 ' ND2' ' HB3' ' A' ' 91' ' ' GLU . 0.8 OUTLIER -72.61 -38.66 67.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.388 -0.369 . . . . 2.24 110.53 179.402 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.531 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -61.34 -31.27 71.14 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.236 0.541 . . . . 0.91 109.963 178.784 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 16' ' ' ARG . 29.2 ttp180 -65.35 -38.56 90.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.77 -0.65 . . . . 3.67 109.499 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 ttt -68.38 -35.5 77.8 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 121.445 0.641 . . . . 2.93 109.512 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.584 HG23 HD13 ' A' ' 84' ' ' LEU . 31.1 m -63.67 -47.65 80.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.481 -0.781 . . . . 0.38 109.771 178.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -65.48 -43.98 88.53 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.674 -0.694 . . . . 0.61 110.899 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.75 -39.1 93.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.406 -0.361 . . . . 2.35 111.119 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.527 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -65.23 -31.06 72.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.208 0.528 . . . . 3.57 109.712 178.789 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.934 ' HB3' HD22 ' A' ' 46' ' ' LEU . 4.8 mt -74.87 -36.73 62.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.46 -0.791 . . . . 0.33 110.496 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 23' ' ' ARG . 3.5 ttt180 -73.75 -39.92 63.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.075 0.464 . . . . 3.33 109.885 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -67.04 -35.15 79.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.169 -0.469 . . . . 2.36 109.82 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.552 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -75.55 -33.53 60.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.576 -0.738 . . . . 0.28 109.238 178.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.64 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -68.84 -39.05 80.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.877 -0.601 . . . . 0.86 110.627 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mp -76.67 -30.79 56.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.167 0.508 . . . . 0.6 110.234 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -74.85 -57.42 3.92 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.89 -0.596 . . . . 1.31 110.905 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.614 HD13 ' HB3' ' A' ' 76' ' ' TYR . 62.1 mt -61.14 -38.36 86.13 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.49 110.899 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.589 ' O ' ' HA ' ' A' ' 36' ' ' PRO . . . -63.73 -47.4 86.85 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.307 -0.949 . . . . 0.65 111.137 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.527 ' HA ' ' HB3' ' A' ' 36' ' ' PRO . 63.8 t30 -70.54 -11.89 61.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.386 0.612 . . . . 1.94 109.821 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 32' ' ' ARG . 3.1 ttp180 -92.27 -3.41 55.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.257 -0.883 . . . . 3.82 109.9 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.79 165.41 11.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.858 -0.61 . . . . 1.84 110.212 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 43.2 t -131.37 111.73 15.33 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 110.352 -0.24 . . . . 1.87 110.352 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 66.0 Cg_endo -76.96 155.52 97.48 Favored 'Cis proline' 0 C--O 1.237 0.465 0 C-N-CA 123.191 -1.587 . . . . 1.86 111.838 0.057 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.589 ' HA ' ' O ' ' A' ' 30' ' ' GLY . 14.0 Cg_endo -57.2 129.59 35.02 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.622 2.215 . . . . 1.42 112.673 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.412 ' O ' ' HA3' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -98.49 104.67 16.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.271 -0.877 . . . . 2.02 109.933 -179.872 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.59 -26.31 74.62 Favored Glycine 0 C--O 1.227 -0.317 0 CA-C-N 116.046 -0.524 . . . . 1.27 111.928 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -112.14 49.47 0.91 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.415 0.626 . . . . 2.13 109.566 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.64 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 28.6 t80 -42.3 -51.69 4.74 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.065 -0.97 . . . . 0.52 110.675 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.602 ' HB3' HD21 ' A' ' 46' ' ' LEU . 7.8 tpp -136.23 121.28 13.17 Favored Pre-proline 0 N--CA 1.444 -0.764 0 N-CA-C 107.823 -1.177 . . . . 0.28 107.823 177.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.45 146.1 75.96 Favored 'Trans proline' 0 N--CA 1.471 0.165 0 C-N-CA 123.159 2.573 . . . . 0.29 112.956 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -52.14 -39.87 60.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.948 -0.569 . . . . 1.51 111.194 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.642 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -62.88 -42.37 99.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.305 -0.407 . . . . 0.57 111.153 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.422 ' O ' ' HB3' ' A' ' 49' ' ' MET . 7.1 mm -73.05 -37.07 52.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.34 111.014 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.934 HD22 ' HB3' ' A' ' 22' ' ' LEU . 83.3 mt -61.64 -38.03 86.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.515 -0.311 . . . . 0.26 110.355 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -68.99 -47.75 64.78 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.889 0.7 . . . . 0.97 112.889 -178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.642 ' HG2' ' O ' ' A' ' 44' ' ' SER . 8.1 ptpt -68.12 -41.44 81.72 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.149 0.499 . . . . 0.77 110.872 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.424 ' CE ' ' HE1' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -65.89 -30.01 70.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.847 -0.615 . . . . 1.07 110.593 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.87 -29.31 44.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.974 0.416 . . . . 0.22 111.29 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.531 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -80.39 -45.52 17.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.172 -0.467 . . . . 0.3 112.172 -179.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -81.89 -36.5 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.954 0.407 . . . . 0.37 110.776 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.622 HD13 ' HA ' ' A' ' 85' ' ' SER . 12.2 mt 54.83 68.6 2.5 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.232 -0.894 . . . . 0.41 111.94 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.45 ' HD2' HG21 ' A' ' 81' ' ' ILE . 1.4 Cg_endo -80.75 105.46 1.69 Allowed 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.867 2.378 . . . . 0.48 111.176 179.06 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.09 -14.43 62.66 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.457 0.91 . . . . 1.66 113.457 -178.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -155.46 -172.76 4.27 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 122.067 -0.396 . . . . 2.68 110.824 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -68.07 -176.34 0.69 Allowed 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.458 -0.571 . . . . 2.68 109.458 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 m 70.45 -49.28 0.65 Allowed 'General case' 0 CA--C 1.534 0.359 0 O-C-N 123.46 0.475 . . . . 1.02 110.999 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.09 -29.61 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.346 -0.613 . . . . 0.62 109.346 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.97 -26.08 14.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.1 -0.955 . . . . 0.46 112.076 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.13 -23.11 65.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.325 -0.398 . . . . 0.67 111.962 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.0 p -72.69 -11.86 60.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.837 0.31 . . . . 1.13 111.837 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.0 mt -75.67 -8.67 57.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.955 0.407 . . . . 0.68 110.085 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.5 -110.63 2.63 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.557 -0.83 . . . . 1.61 111.416 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.97 71.01 1.46 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.842 0.353 . . . . 2.55 111.234 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.436 HG23 ' HD2' ' A' ' 71' ' ' ARG . 27.2 m -72.68 129.21 35.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 120.134 -0.626 . . . . 0.89 109.8 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.95 160.64 23.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.972 -0.558 . . . . 2.42 110.264 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.408 ' O ' ' HD3' ' A' ' 72' ' ' ARG . 30.6 t70 -60.07 -34.37 73.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.733 -0.667 . . . . 1.72 109.473 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -63.61 -28.94 70.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.518 -0.765 . . . . 1.97 109.873 178.482 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.461 ' N ' ' HG2' ' A' ' 69' ' ' LYS . 69.0 m-85 -78.61 -36.77 43.71 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.534 -0.543 . . . . 1.29 109.534 178.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.457 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -62.91 -35.15 79.11 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.627 0.58 . . . . 2.55 109.726 178.399 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.535 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -56.92 -67.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.254 -0.885 . . . . 4.38 112.035 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -3.82 33.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.255 0.55 . . . . 1.44 110.638 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.457 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -61.93 -35.13 77.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.789 -0.641 . . . . 0.36 110.18 179.014 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -55.57 -23.65 28.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.617 -0.72 . . . . 1.72 112.455 -179.646 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.614 ' HB3' HD13 ' A' ' 29' ' ' LEU . 62.5 m-85 -76.93 -8.26 57.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.546 0.212 . . . . 0.99 111.244 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.59 ' CE1' HD23 ' A' ' 22' ' ' LEU . 8.9 m-85 -112.89 -17.21 12.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.275 -0.421 . . . . 0.27 110.882 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -31.25 18.88 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 114.457 1.28 . . . . 1.37 114.457 -177.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.55 -32.92 28.34 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.156 -0.618 . . . . 0.56 110.521 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.65 -45.79 50.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.582 -0.736 . . . . 0.53 111.019 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 77' ' ' PHE . 8.1 mt -60.32 -38.31 77.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.194 0.521 . . . . 0.55 110.08 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.33 -46.81 78.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.909 -0.587 . . . . 0.53 110.477 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -42.52 93.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.867 -0.606 . . . . 1.4 110.529 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.584 HD13 HG23 ' A' ' 18' ' ' THR . 16.3 mt -63.19 -31.36 72.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.48 110.868 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.622 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -72.31 -31.17 65.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.902 -0.59 . . . . 1.37 111.055 -179.717 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -84.79 -24.52 28.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.887 0.375 . . . . 3.07 110.967 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -77.58 -37.59 50.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.178 0.513 . . . . 2.78 109.85 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -82.54 49.35 1.44 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.57 -0.741 . . . . 3.01 111.2 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.1 m -94.24 -58.14 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.817 0.342 . . . . 3.17 111.064 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.42 -7.2 12.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.298 0.57 . . . . 3.96 110.703 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.568 ' HB3' ' ND2' ' A' ' 14' ' ' ASN . 1.1 mm-40 . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.351 -0.833 . . . . 6.44 109.512 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 N--CA 1.467 0.379 0 N-CA-C 108.19 -1.041 . . . . 6.57 108.19 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.63 171.72 13.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.698 -1.137 . . . . 5.39 111.159 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -92.55 47.67 1.32 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.592 -0.731 . . . . 3.15 109.405 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -67.65 -45.42 75.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.414 -0.812 . . . . 2.24 110.182 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -38.11 89.4 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.132 0.491 . . . . 0.91 109.947 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -67.98 -39.9 83.19 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.935 -0.575 . . . . 3.67 110.024 178.893 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.3 tmm? -61.74 -41.28 97.45 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.384 0.611 . . . . 2.93 109.956 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.635 HG23 HD13 ' A' ' 84' ' ' LEU . 7.4 m -63.94 -44.49 92.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.029 -0.987 . . . . 0.38 109.809 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -66.32 -41.58 89.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.61 110.574 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.4 -46.47 88.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 2.35 110.918 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -64.36 -34.9 79.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.501 -0.318 . . . . 3.57 110.718 179.562 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.646 HD23 ' CE1' ' A' ' 77' ' ' PHE . 2.8 mt -72.24 -40.28 67.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.498 -0.319 . . . . 0.33 110.71 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -40.86 89.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.814 0.34 . . . . 3.33 110.832 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.73 -34.53 75.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.935 0.398 . . . . 2.36 110.202 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.668 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -73.35 -34.87 65.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.81 -0.632 . . . . 0.28 110.164 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.674 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 51.0 m -64.67 -36.54 84.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.13 0.49 . . . . 0.86 110.487 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.92 -33.12 63.85 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.936 -0.575 . . . . 0.6 110.898 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -78.2 -53.35 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.944 -0.571 . . . . 1.31 112.04 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.668 ' HG ' HD22 ' A' ' 25' ' ' LEU . 93.8 mt -64.12 -32.94 74.69 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.692 0.282 . . . . 0.49 111.11 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.03 -33.61 79.96 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.947 -0.644 . . . . 0.65 113.075 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -99.76 -11.57 20.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 117.074 0.437 . . . . 1.94 110.339 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.456 HH11 ' HD3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -93.62 -2.67 53.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.909 0.385 . . . . 3.82 110.913 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.6 159.36 15.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.196 -0.457 . . . . 1.84 110.853 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 3.3 t -122.79 108.26 33.05 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.46 -0.336 . . . . 1.87 110.587 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 74.5 Cg_endo -84.97 168.6 51.61 Favored 'Cis proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.975 -1.26 . . . . 1.86 111.662 -0.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -52.04 138.32 53.1 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.918 2.412 . . . . 1.42 112.481 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.4 t -92.82 -30.05 4.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.842 -0.617 . . . . 2.02 111.929 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.77 -77.19 1.49 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.263 -0.97 . . . . 1.27 110.809 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -102.49 73.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.334 -0.617 . . . . 2.13 109.334 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.674 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 8.1 t80 -43.69 -75.47 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 114.853 -1.067 . . . . 0.52 111.939 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.724 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -117.43 132.41 23.57 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.388 -0.597 . . . . 0.28 109.388 179.524 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 41' ' ' MET . 8.2 Cg_exo -71.48 146.91 51.03 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 122.616 2.211 . . . . 0.29 111.533 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.524 ' HA ' HD12 ' A' ' 46' ' ' LEU . 2.2 t70 -48.46 -40.99 28.26 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.776 0.673 . . . . 1.51 111.819 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -48.97 79.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.468 . . . . 0.57 111.444 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 49' ' ' MET . 31.4 mm -69.78 -35.73 66.59 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 CA-C-N 116.282 -0.417 . . . . 0.34 111.105 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 22' ' ' LEU . 20.7 mt -62.56 -37.46 86.23 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.409 -0.36 . . . . 0.26 110.839 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -68.96 -52.02 33.48 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.177 0.436 . . . . 0.97 112.177 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.479 ' HG3' HD22 ' A' ' 63' ' ' LEU . 4.7 ptpt -64.15 -42.26 96.83 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.906 0.384 . . . . 0.77 111.041 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.526 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -65.47 -30.43 71.21 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.142 -0.481 . . . . 1.07 110.836 -179.707 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.14 -30.51 43.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.78 0.324 . . . . 0.22 111.4 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.24 -40.73 23.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.298 -0.41 . . . . 0.3 111.383 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 mp -88.53 -34.82 7.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 CA-C-N 116.574 -0.284 . . . . 0.37 111.465 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 85' ' ' SER . 12.4 mt 53.37 67.99 3.28 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.754 -0.657 . . . . 0.41 110.421 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.447 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 6.1 Cg_exo -79.03 118.48 4.07 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 123.554 2.836 . . . . 0.48 112.389 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.7 mtp -95.78 -20.05 19.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.602 -0.727 . . . . 1.66 111.247 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -123.84 166.68 15.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.197 0.523 . . . . 2.68 111.666 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -56.81 -45.39 82.31 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.208 -0.906 . . . . 2.68 112.695 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.51 -38.53 71.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.681 0.277 . . . . 1.02 111.665 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.447 ' CB ' ' HB3' ' A' ' 54' ' ' PRO . . . -72.38 -28.61 63.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.217 0.532 . . . . 0.62 111.004 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.447 ' HD1' ' HA ' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -67.13 -25.64 66.28 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.679 -0.408 . . . . 0.46 110.747 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.22 -26.93 64.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.67 110.785 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.85 0.23 28.0 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.987 -0.285 . . . . 1.13 111.456 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.479 HD22 ' HG3' ' A' ' 48' ' ' LYS . 35.8 mt -83.82 21.1 1.34 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.775 -0.454 . . . . 0.68 109.775 178.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.86 32.25 37.16 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.551 -1.02 . . . . 1.61 110.551 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 56.67 82.11 0.12 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.408 0.683 . . . . 2.55 111.645 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.515 HG12 HD12 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -65.65 138.02 23.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 115.568 -0.742 . . . . 0.89 110.606 179.463 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.5 146.19 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.938 -0.574 . . . . 2.42 110.242 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -56.34 -35.34 67.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.404 -0.362 . . . . 1.72 111.284 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -66.67 -26.55 67.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.286 -0.416 . . . . 1.97 111.069 179.386 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.406 ' N ' ' HG2' ' A' ' 69' ' ' LYS . 11.3 m-85 -82.9 -33.06 27.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 1.29 110.098 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.537 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 37.5 mtm-85 -68.42 -34.16 75.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.716 -0.674 . . . . 2.55 110.958 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -54.22 49.45 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 112.604 0.594 . . . . 4.38 112.604 -178.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -85.89 -0.54 55.66 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.27 0.557 . . . . 1.44 109.749 -179.743 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.537 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -58.12 -35.05 70.92 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.33 -0.85 . . . . 0.36 110.664 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.789 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -54.21 -24.37 18.18 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.08 0.77 . . . . 1.72 113.08 -178.81 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.606 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 91.7 m-85 -73.9 -10.31 59.52 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.828 -0.349 . . . . 0.99 110.726 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.724 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.4 OUTLIER -105.99 -12.99 15.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.308 -0.405 . . . . 0.27 111.06 179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.789 ' HD3' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -57.96 -32.84 68.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.983 0.364 . . . . 1.37 111.983 -178.447 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.56 -32.43 72.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.414 0.626 . . . . 0.56 110.427 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.03 -46.56 13.77 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.524 -0.762 . . . . 0.53 111.427 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 77' ' ' PHE . 51.1 mt -58.26 -43.03 85.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.239 -0.437 . . . . 0.55 110.573 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.19 -49.92 75.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.53 111.333 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.12 -43.97 93.66 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.901 -0.59 . . . . 1.4 111.516 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.635 HD13 HG23 ' A' ' 18' ' ' THR . 34.3 mt -67.51 -30.5 70.19 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.652 -0.249 . . . . 0.48 111.46 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.535 ' HA ' HD13 ' A' ' 53' ' ' LEU . 1.3 t -79.18 -30.8 43.65 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.914 -0.402 . . . . 1.37 109.914 179.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -73.18 -46.07 52.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.86 -0.609 . . . . 3.07 109.926 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -71.81 -24.73 61.77 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.036 -0.529 . . . . 2.78 111.451 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -55.65 -50.89 69.0 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.389 -0.369 . . . . 3.01 111.207 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.63 20.13 4.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.978 0.418 . . . . 3.17 111.431 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.72 39.95 1.4 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.093 0.473 . . . . 3.96 110.179 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.523 -0.751 . . . . 6.44 110.317 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.473 0.682 0 CA-C-O 121.074 0.464 . . . . 6.57 110.818 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 mt -81.23 53.85 2.13 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.884 -0.598 . . . . 5.39 109.872 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -83.31 76.48 9.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.593 -0.731 . . . . 3.15 110.121 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.97 -28.27 61.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.732 -0.667 . . . . 2.24 110.042 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.81 -36.94 84.8 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.875 -0.417 . . . . 0.91 109.875 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.44 -40.37 67.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.235 0.54 . . . . 3.67 109.743 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 45.5 ttp -60.46 -43.59 96.73 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.391 -0.822 . . . . 2.93 110.178 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.863 HG23 HD13 ' A' ' 84' ' ' LEU . 8.5 m -66.04 -49.42 67.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.365 -0.834 . . . . 0.38 110.241 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -58.48 -44.43 89.35 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.048 -0.524 . . . . 0.61 110.632 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -48.24 82.65 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.007 -0.542 . . . . 2.35 110.681 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.552 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -63.1 -34.13 76.93 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.857 -0.61 . . . . 3.57 110.416 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.863 ' HB3' HD22 ' A' ' 46' ' ' LEU . 5.4 mt -72.75 -36.86 67.81 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.213 -0.449 . . . . 0.33 110.521 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -43.74 68.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.562 -0.29 . . . . 3.33 111.025 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -67.8 -35.18 78.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.399 0.619 . . . . 2.36 110.414 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.552 ' HB2' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -73.22 -43.65 60.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.56 -0.745 . . . . 0.28 109.473 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.587 ' HB2' ' O ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -62.62 -34.13 76.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.108 -0.496 . . . . 0.86 112.164 -179.575 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 mp -78.52 -32.48 48.09 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.981 0.42 . . . . 0.6 110.516 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -71.62 -56.09 6.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.554 -0.748 . . . . 1.31 110.688 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.39 -33.89 76.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.059 -0.519 . . . . 0.49 110.421 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.446 ' HA2' HG23 ' A' ' 37' ' ' VAL . . . -61.51 -46.63 93.93 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.851 -0.613 . . . . 0.65 112.372 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -77.06 -12.99 60.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 1.94 111.051 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -91.75 -6.22 52.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.238 0.542 . . . . 3.82 109.968 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.39 156.68 16.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.46 -0.791 . . . . 1.84 109.712 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.2 t -133.4 119.21 15.19 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.146 -0.316 . . . . 1.87 110.146 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 43.6 Cg_endo -68.74 145.32 76.77 Favored 'Cis proline' 0 C--O 1.235 0.339 0 C-N-CA 123.826 -1.322 . . . . 1.86 112.443 0.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' PRO . 68.9 Cg_exo -53.33 128.33 28.78 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.647 2.231 . . . . 1.42 112.334 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.446 HG23 ' HA2' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -89.84 113.12 25.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.673 -0.694 . . . . 2.02 110.182 -179.749 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.82 -26.18 71.02 Favored Glycine 0 C--N 1.334 0.44 0 N-CA-C 109.55 -1.42 . . . . 1.27 109.55 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -137.07 81.46 1.87 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 114.389 -0.905 . . . . 2.13 109.43 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.439 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 39.6 t80 -50.02 -36.14 27.55 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.018 -0.992 . . . . 0.52 109.711 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.664 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 8.5 tpp -142.14 125.69 9.69 Favored Pre-proline 0 N--CA 1.445 -0.7 0 N-CA-C 107.383 -1.34 . . . . 0.28 107.383 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -56.35 141.54 89.0 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 121.784 1.656 . . . . 0.29 112.29 -178.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.64 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -51.4 -35.9 41.11 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.716 0.635 . . . . 1.51 110.499 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.574 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -60.63 -49.62 76.8 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.692 -0.685 . . . . 0.57 110.894 178.74 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.459 ' O ' ' HB3' ' A' ' 49' ' ' MET . 1.2 mm -69.45 -35.81 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 116.428 -0.351 . . . . 0.34 110.35 178.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.863 HD22 ' HB3' ' A' ' 22' ' ' LEU . 56.8 mt -61.04 -37.23 81.88 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.698 0.285 . . . . 0.26 110.379 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -70.49 -51.16 30.97 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.576 0.584 . . . . 0.97 112.576 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -66.47 -38.93 88.41 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.688 -0.405 . . . . 0.77 111.379 -179.371 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.459 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -68.2 -29.92 68.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.15 -0.315 . . . . 1.07 110.15 179.829 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.482 ' HA ' HG21 ' A' ' 18' ' ' THR . . . -79.7 -29.75 40.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.359 -0.382 . . . . 0.22 110.953 178.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.02 -39.6 23.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.396 -0.365 . . . . 0.3 111.698 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -92.05 -39.41 11.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 C-N-CA 120.636 -0.426 . . . . 0.37 111.038 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.408 HD23 HG23 ' A' ' 81' ' ' ILE . 6.8 mt 59.38 73.7 0.65 Allowed Pre-proline 0 C--O 1.234 0.263 0 CA-C-N 115.469 -0.787 . . . . 0.41 110.51 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.46 ' HG2' ' CE1' ' A' ' 60' ' ' PHE . 13.7 Cg_endo -88.32 110.16 0.61 Allowed 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.048 2.499 . . . . 0.48 112.069 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.41 -49.46 9.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.05 -0.523 . . . . 1.66 110.732 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.491 ' ND2' ' H ' ' A' ' 58' ' ' SER . 0.1 OUTLIER -81.76 147.85 29.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.72 -0.673 . . . . 2.68 110.618 -179.642 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.626 ' O ' ' HB2' ' A' ' 60' ' ' PHE . 50.0 m-20 -64.44 -28.91 70.0 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.761 0.652 . . . . 2.68 112.761 -178.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.491 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -69.69 -35.22 74.91 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.911 -0.493 . . . . 1.02 110.718 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.94 -24.64 66.1 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.553 0.692 . . . . 0.62 109.834 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.626 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -59.93 -22.29 62.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.173 -0.922 . . . . 0.46 111.735 179.798 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.2 -27.1 68.74 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.334 0.494 . . . . 0.67 112.334 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.75 -8.05 59.66 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.793 0.33 . . . . 1.13 111.558 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 4.0 mt -74.18 -20.67 60.13 Favored 'General case' 0 N--CA 1.461 0.098 0 N-CA-C 108.371 -0.974 . . . . 0.68 108.371 177.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.67 -127.92 6.34 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.112 -1.195 . . . . 1.61 110.112 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.38 74.17 1.03 Allowed 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 121.033 -0.267 . . . . 2.55 111.522 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 m -71.93 131.18 34.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 N-CA-C 109.469 -0.567 . . . . 0.89 109.469 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.52 ' HB2' ' CD1' ' A' ' 70' ' ' TYR . 1.1 mt-10 -68.35 168.02 13.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.121 0.486 . . . . 2.42 111.673 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.6 -36.22 83.52 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.131 -0.692 . . . . 1.72 109.131 178.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.515 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -66.28 -27.47 67.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.652 -0.703 . . . . 1.97 110.33 178.873 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.52 ' CD1' ' HB2' ' A' ' 67' ' ' GLU . 11.8 m-85 -78.54 -41.12 33.05 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.764 -0.653 . . . . 1.29 109.633 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.453 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 0.8 OUTLIER -63.1 -35.84 81.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.859 -0.61 . . . . 2.55 110.658 179.616 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -56.68 -76.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.861 -0.609 . . . . 4.38 111.44 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -65.1 -6.05 8.07 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.51 -0.768 . . . . 1.44 111.524 -179.324 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.453 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -56.04 -33.25 64.77 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.239 -0.652 . . . . 0.36 109.239 177.862 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.49 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -58.05 -24.82 59.93 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.177 -0.919 . . . . 1.72 111.924 179.72 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -73.24 -12.59 60.91 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.999 0.428 . . . . 0.99 110.475 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.664 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 2.4 m-85 -106.18 -16.33 14.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.483 -0.78 . . . . 0.27 109.597 178.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.49 ' HB2' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -54.25 -32.97 57.42 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.743 0.646 . . . . 1.37 112.743 -178.424 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.16 -34.68 63.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.296 0.57 . . . . 0.56 110.031 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.67 -45.96 34.02 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.407 -0.815 . . . . 0.53 111.004 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 77' ' ' PHE . 22.7 mt -61.01 -25.38 35.9 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 CA-C-N 116.296 -0.411 . . . . 0.55 110.158 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.68 -33.55 53.22 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.111 0.481 . . . . 0.53 111.382 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.29 -45.19 18.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.195 -0.457 . . . . 1.4 110.883 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.863 HD13 HG23 ' A' ' 18' ' ' THR . 9.0 mt -65.72 -29.79 70.37 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.836 0.68 . . . . 0.48 112.836 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 p -72.66 -29.67 63.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.296 0.569 . . . . 1.37 109.68 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.66 -11.43 53.83 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.535 -0.757 . . . . 3.07 110.128 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -97.22 -15.83 20.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.754 -0.657 . . . . 2.78 110.836 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -60.41 112.0 1.79 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.635 -0.711 . . . . 3.01 111.419 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.96 27.28 16.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.057 -0.974 . . . . 3.17 110.622 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m 72.25 -46.05 0.63 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.446 0.698 . . . . 3.96 112.013 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.337 -0.839 . . . . 6.44 109.849 179.644 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.45 0 CA-C-O 121.342 0.591 . . . . 6.57 109.494 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 12' ' ' LEU . 18.0 mt -92.19 64.28 4.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.657 -0.701 . . . . 5.39 109.761 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' A' ' 17' ' ' MET . 11.6 t30 -88.49 37.08 0.81 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.413 -0.812 . . . . 3.15 110.13 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -74.78 -59.2 2.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.932 -0.576 . . . . 2.24 111.708 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.563 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -62.96 -36.39 83.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.689 -0.232 . . . . 0.91 111.353 -179.413 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.474 ' HD3' ' OD1' ' A' ' 13' ' ' ASN . 2.8 ttp180 -64.34 -38.39 90.87 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.571 -0.529 . . . . 3.67 109.571 178.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.486 ' HB2' ' O ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -70.79 -33.05 70.34 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.82 -0.627 . . . . 2.93 110.087 178.479 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.647 HG23 HD13 ' A' ' 84' ' ' LEU . 25.6 m -63.61 -50.16 70.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.028 0.442 . . . . 0.38 110.194 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -65.12 -42.68 93.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.829 -0.623 . . . . 0.61 110.967 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.64 -37.05 79.39 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.619 -0.264 . . . . 2.35 111.587 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -66.64 -34.63 78.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.202 0.525 . . . . 3.57 109.626 178.795 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.739 ' HB3' HD22 ' A' ' 46' ' ' LEU . 1.7 mt -69.32 -38.26 78.15 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.469 -0.787 . . . . 0.33 109.631 178.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -65.21 -45.88 82.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.664 -0.698 . . . . 3.33 111.183 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -68.38 -34.97 77.0 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.182 -0.463 . . . . 2.36 109.755 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.588 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.2 -35.37 73.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.28 110.397 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.617 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 21.6 m -63.48 -36.26 83.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.13 0.49 . . . . 0.86 110.033 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mp -78.45 -33.85 48.14 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.913 -0.585 . . . . 0.6 110.463 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.445 ' O ' ' HB2' ' A' ' 32' ' ' ARG . 1.1 t-20 -71.3 -58.4 3.57 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.751 -0.659 . . . . 1.31 110.963 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.588 ' HG ' HD22 ' A' ' 25' ' ' LEU . 59.4 mt -63.46 -39.27 94.02 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.49 109.975 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 36' ' ' PRO . . . -59.03 -52.13 55.2 Favored Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.119 -0.946 . . . . 0.65 111.812 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.423 ' HA ' ' HB3' ' A' ' 36' ' ' PRO . 5.5 t-20 -71.63 -14.05 61.94 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.811 0.305 . . . . 1.94 111.208 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -88.33 -4.79 58.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.241 0.543 . . . . 3.82 110.343 179.434 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.52 165.18 12.29 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.694 -0.854 . . . . 1.84 108.694 178.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.2 t -133.98 112.92 12.49 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.983 -0.377 . . . . 1.87 109.983 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -74.24 155.84 99.82 Favored 'Cis proline' 0 C--N 1.346 0.399 0 C-N-CA 122.952 -1.687 . . . . 1.86 112.245 0.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.423 ' HB3' ' HA ' ' A' ' 31' ' ' ASN . 18.7 Cg_endo -59.12 129.59 32.43 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.36 2.04 . . . . 1.42 112.319 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -88.14 120.47 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 115.758 -0.656 . . . . 2.02 110.832 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.59 -26.97 40.49 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 110.16 -1.176 . . . . 1.27 110.16 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -119.85 64.5 0.81 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.793 -0.703 . . . . 2.13 109.797 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.617 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 27.5 t80 -57.36 -49.99 74.39 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.525 -0.761 . . . . 0.52 110.087 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.717 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 37.1 tpp -141.53 127.42 11.07 Favored Pre-proline 0 N--CA 1.449 -0.501 0 N-CA-C 108.558 -0.904 . . . . 0.28 108.558 178.05 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -56.9 141.8 93.22 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.629 2.22 . . . . 0.29 112.63 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.607 ' HA ' HD12 ' A' ' 46' ' ' LEU . 1.4 t0 -50.18 -39.4 43.73 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.426 -0.806 . . . . 1.51 111.419 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -65.36 -46.88 78.43 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.425 -0.807 . . . . 0.57 110.797 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.487 ' O ' ' HB3' ' A' ' 49' ' ' MET . 1.1 mm -67.56 -35.45 73.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.34 111.098 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.739 HD22 ' HB3' ' A' ' 22' ' ' LEU . 29.0 mt -61.94 -34.44 76.11 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.702 -0.481 . . . . 0.26 109.702 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -73.82 -48.77 28.95 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.036 -0.529 . . . . 0.97 112.133 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 44' ' ' SER . 4.0 ptpt -66.24 -38.0 86.85 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.757 -0.377 . . . . 0.77 110.709 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.487 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -71.09 -29.08 64.84 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.237 -0.438 . . . . 1.07 110.695 179.866 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.07 -28.98 48.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.804 0.335 . . . . 0.22 111.157 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.563 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -83.53 -35.67 24.62 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.436 0.532 . . . . 0.3 112.436 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -98.69 -34.03 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 122.381 -0.199 . . . . 0.37 111.455 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.702 HD13 ' HA ' ' A' ' 85' ' ' SER . 29.7 mt 54.46 71.52 1.32 Allowed Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.817 -0.629 . . . . 0.41 111.12 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.24 110.97 2.97 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 123.262 2.641 . . . . 0.48 112.461 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.7 mtp -79.84 -27.36 40.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.336 -0.393 . . . . 1.66 110.849 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -126.92 166.73 16.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.157 -0.474 . . . . 2.68 110.321 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.583 ' HA ' ' HB2' ' A' ' 60' ' ' PHE . 31.9 t70 -64.67 -24.43 67.57 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.96 0.41 . . . . 2.68 111.632 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -36.98 80.63 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.126 0.489 . . . . 1.02 109.811 178.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.04 -28.57 32.39 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.519 0.676 . . . . 0.62 109.714 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.583 ' HB2' ' HA ' ' A' ' 57' ' ' ASP . 1.5 m-85 -62.15 -24.99 67.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.255 -0.884 . . . . 0.46 109.964 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.53 -24.92 64.08 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.654 -0.703 . . . . 0.67 111.263 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.7 8.57 40.43 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.054 0.39 . . . . 1.13 112.054 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.441 HD22 ' HB2' ' A' ' 48' ' ' LYS . 2.2 mt -88.65 17.65 5.31 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.031 0.443 . . . . 0.68 110.276 178.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.73 -104.74 3.21 Favored Glycine 0 N--CA 1.438 -1.227 0 N-CA-C 110.816 -0.914 . . . . 1.61 110.816 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.11 76.4 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.813 0.307 . . . . 2.55 111.824 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.2 m -80.61 127.39 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.134 -0.626 . . . . 0.89 109.841 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HB2' ' HD2' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -73.75 162.23 29.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.812 -0.631 . . . . 2.42 109.818 -179.642 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.641 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 15.8 t70 -58.28 -34.08 70.13 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.885 -0.326 . . . . 1.72 110.27 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.409 ' HA ' ' HG3' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -63.36 -28.52 70.05 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.868 0.365 . . . . 1.97 110.583 179.023 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.442 ' HD2' ' HB2' ' A' ' 67' ' ' GLU . 39.4 m-85 -78.44 -33.44 48.51 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 108.915 -0.772 . . . . 1.29 108.915 178.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.653 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 6.2 mtm-85 -68.48 -31.6 70.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.721 -1.127 . . . . 2.55 110.264 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.641 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 8.6 mmt180 -51.79 -63.86 1.0 Allowed 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.681 -0.691 . . . . 4.38 111.231 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -3.21 50.44 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.901 -0.32 . . . . 1.44 110.919 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.653 ' HB2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -60.22 -35.97 76.63 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.131 0.491 . . . . 0.36 110.144 179.35 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 5.1 ptmt -61.19 -24.97 66.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.265 -0.88 . . . . 1.72 111.328 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.35 -8.62 58.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.836 0.35 . . . . 0.99 110.649 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.717 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.2 OUTLIER -103.73 -13.66 16.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.92 -0.582 . . . . 0.27 110.371 179.166 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -53.7 -34.12 57.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.985 -0.552 . . . . 1.37 112.483 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.12 -32.88 74.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.135 0.493 . . . . 0.56 111.089 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.29 -43.06 14.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.757 -0.656 . . . . 0.53 111.223 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.61 ' O ' ' HB2' ' A' ' 85' ' ' SER . 34.1 mt -59.03 -47.34 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.539 -0.301 . . . . 0.55 110.244 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.53 -44.87 89.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.08 -0.509 . . . . 0.53 111.22 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.81 -55.55 31.72 Favored 'General case' 0 CA--C 1.518 -0.258 0 O-C-N 123.569 0.543 . . . . 1.4 110.846 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.647 HD13 HG23 ' A' ' 18' ' ' THR . 11.0 mt -63.22 -27.85 69.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.615 -0.266 . . . . 0.48 111.459 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.702 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -71.41 -26.71 62.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.744 -0.465 . . . . 1.37 109.744 178.562 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -4.87 59.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.18 0.514 . . . . 3.07 110.037 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -106.27 -33.83 7.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.383 -0.826 . . . . 2.78 110.609 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.417 ' HE ' ' HB3' ' A' ' 88' ' ' ARG . 0.4 OUTLIER -69.8 -1.13 8.44 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.502 0.556 . . . . 3.01 112.502 -178.779 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.02 -36.33 83.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 3.17 110.316 179.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.4 p -146.7 -75.72 0.2 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.798 0.332 . . . . 3.96 110.379 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.012 -0.994 . . . . 6.44 109.435 179.57 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.706 0.765 . . . . 6.57 110.242 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mt -71.33 -35.05 71.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.932 -1.031 . . . . 5.39 111.209 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -88.35 37.73 0.83 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.099 0.476 . . . . 3.15 110.999 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -64.32 -26.87 68.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.232 0.539 . . . . 2.24 110.408 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.822 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -61.64 -28.25 69.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.226 -0.897 . . . . 0.91 111.599 179.766 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -35.08 79.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.882 0.373 . . . . 3.67 110.744 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.8 ttt -68.67 -36.18 78.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.638 -0.71 . . . . 2.93 109.86 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.749 ' HA ' HD22 ' A' ' 84' ' ' LEU . 2.6 m -61.05 -45.93 92.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.77 -0.65 . . . . 0.38 109.519 178.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -63.5 -38.76 92.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.546 -0.752 . . . . 0.61 110.457 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.33 -48.29 78.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.186 -0.461 . . . . 2.35 111.355 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.597 ' HG2' HG22 ' A' ' 80' ' ' THR . 0.0 OUTLIER -60.04 -32.16 70.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.104 0.478 . . . . 3.57 110.218 179.577 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.818 ' HB3' HD22 ' A' ' 46' ' ' LEU . 5.1 mt -76.15 -39.81 54.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.913 -0.585 . . . . 0.33 110.719 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -37.98 78.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.367 . . . . 3.33 110.77 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.21 -36.23 69.11 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.416 0.627 . . . . 2.36 110.363 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.545 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -74.88 -37.74 62.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.779 -0.646 . . . . 0.28 109.936 -179.657 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -64.0 -36.68 84.76 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.051 -0.522 . . . . 0.86 111.058 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mp -75.56 -30.31 59.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.358 0.599 . . . . 0.6 109.639 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -72.27 -65.6 0.76 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.44 -0.8 . . . . 1.31 111.634 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.08 -37.1 83.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.076 -0.511 . . . . 0.49 111.591 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.14 -37.52 95.05 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.958 -0.639 . . . . 0.65 113.494 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -95.07 -13.88 24.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 117.082 0.441 . . . . 1.94 111.762 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.615 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -88.7 -9.0 53.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.906 0.86 . . . . 3.82 109.379 179.226 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.21 133.3 36.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.202 -0.908 . . . . 1.84 108.712 177.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.5 t -122.27 121.52 27.78 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.632 -0.507 . . . . 1.87 109.632 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 56.2 Cg_endo -70.5 148.89 89.39 Favored 'Cis proline' 0 C--N 1.345 0.37 0 C-N-CA 123.746 -1.356 . . . . 1.86 112.335 0.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 35' ' ' PRO . 77.2 Cg_exo -54.63 139.42 76.28 Favored 'Trans proline' 0 CA--C 1.516 -0.385 0 C-N-CA 122.731 2.287 . . . . 1.42 112.661 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -71.19 -28.84 33.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.229 -0.896 . . . . 2.02 111.117 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.99 -55.97 4.81 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.77 -0.932 . . . . 1.27 110.77 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.31 82.25 2.0 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.381 -0.6 . . . . 2.13 109.381 178.089 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.694 ' HZ ' ' HB2' ' A' ' 76' ' ' TYR . 26.5 t80 -52.83 -43.25 65.87 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.574 -0.739 . . . . 0.52 110.668 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.595 ' HB3' HD21 ' A' ' 46' ' ' LEU . 6.7 tpp -148.65 117.56 4.01 Favored Pre-proline 0 N--CA 1.44 -0.967 0 N-CA-C 108.096 -1.076 . . . . 0.28 108.096 177.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -57.18 144.19 91.2 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.965 2.443 . . . . 0.29 111.683 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.452 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.8 t70 -49.58 -41.11 40.89 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.319 0.648 . . . . 1.51 111.681 -179.006 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.596 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 15.7 m -62.99 -42.46 99.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.546 -0.297 . . . . 0.57 111.352 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.47 ' O ' ' HB3' ' A' ' 49' ' ' MET . 2.5 mm -71.35 -35.1 56.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 0.34 110.047 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.818 HD22 ' HB3' ' A' ' 22' ' ' LEU . 83.1 mt -61.72 -36.5 81.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.996 -0.547 . . . . 0.26 109.925 178.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -71.82 -45.17 62.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.97 112.124 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 44' ' ' SER . 4.4 ptpt -71.22 -39.22 71.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.962 0.411 . . . . 0.77 111.12 -179.363 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.47 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -68.65 -30.75 69.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.241 -0.436 . . . . 1.07 110.361 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.09 -30.19 49.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 0.22 110.928 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.822 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -83.83 -40.28 18.89 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.189 -0.459 . . . . 0.3 111.908 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.9 mp -88.29 -37.15 10.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 C-N-CA 120.352 -0.539 . . . . 0.37 111.101 -178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.655 HD13 ' HA ' ' A' ' 85' ' ' SER . 22.8 mt 50.57 70.83 1.78 Allowed Pre-proline 0 C--O 1.236 0.352 0 CA-C-O 121.218 0.532 . . . . 0.41 110.334 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.516 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 5.8 Cg_exo -78.99 124.46 6.12 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 123.01 2.473 . . . . 0.48 113.006 -178.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -45.6 69.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.629 -0.714 . . . . 1.66 111.147 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.55 -172.99 3.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.22 -0.446 . . . . 2.68 110.509 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.642 ' HA ' ' HB2' ' A' ' 60' ' ' PHE . 17.2 t70 -56.31 -31.08 63.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.995 -0.548 . . . . 2.68 112.455 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -51.54 59.85 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.041 0.448 . . . . 1.02 111.261 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.04 -30.2 39.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.209 -0.45 . . . . 0.62 110.954 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.642 ' HB2' ' HA ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -53.53 -24.46 13.49 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.095 -0.502 . . . . 0.46 112.351 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.82 -25.12 64.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.525 -0.307 . . . . 0.67 111.683 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.3 p -79.19 -1.87 38.33 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.951 0.352 . . . . 1.13 111.951 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.426 HD22 ' HB2' ' A' ' 48' ' ' LYS . 3.1 mt -82.48 -8.21 59.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.899 0.38 . . . . 0.68 110.419 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.23 45.4 3.04 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.383 -0.913 . . . . 1.61 112.38 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 51.09 79.65 0.09 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.285 0.634 . . . . 2.55 112.259 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.8 m -70.91 148.37 10.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.054 -0.521 . . . . 0.89 110.492 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.546 ' HB3' ' HG2' ' A' ' 69' ' ' LYS . 4.9 mt-10 -71.85 152.68 42.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.135 -0.484 . . . . 2.42 110.529 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.594 ' HA ' ' HB2' ' A' ' 71' ' ' ARG . 27.7 t70 -59.34 -34.07 71.91 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.24 -0.436 . . . . 1.72 110.478 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.546 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -62.37 -29.16 70.27 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.918 0.39 . . . . 1.97 110.817 178.912 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.467 ' HD2' ' HB2' ' A' ' 67' ' ' GLU . 73.9 m-85 -88.86 -33.32 17.39 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 108.942 -0.762 . . . . 1.29 108.942 178.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.655 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -63.53 -36.94 85.45 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.539 -1.21 . . . . 2.55 111.522 179.7 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.29 -40.51 62.22 Favored 'General case' 0 N--CA 1.421 -1.909 0 N-CA-C 112.087 0.403 . . . . 4.38 112.087 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -84.06 -1.79 55.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.592 0.711 . . . . 1.44 109.815 -179.654 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.655 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -60.81 -35.58 76.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.854 -1.066 . . . . 0.36 111.123 178.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -23.16 17.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.531 -0.759 . . . . 1.72 113.04 -179.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.694 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 63.4 m-85 -74.26 -9.44 58.61 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.777 0.322 . . . . 0.99 110.765 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.571 ' CE1' HD23 ' A' ' 22' ' ' LEU . 3.5 m-85 -112.01 -11.57 13.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.208 -0.451 . . . . 0.27 110.492 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.38 -36.79 10.14 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.061 1.134 . . . . 1.37 114.061 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.71 -34.35 52.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.162 0.506 . . . . 0.56 110.819 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.597 HG22 ' HG2' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -73.14 -46.09 53.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.47 -0.786 . . . . 0.53 111.322 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 77' ' ' PHE . 24.5 mt -59.57 -34.74 55.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.308 -0.405 . . . . 0.55 110.256 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.61 -37.1 60.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.53 111.617 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.05 -40.48 75.07 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.943 0.401 . . . . 1.4 110.743 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.749 HD22 ' HA ' ' A' ' 18' ' ' THR . 13.0 mt -76.26 -30.09 57.71 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.899 0.703 . . . . 0.48 112.899 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.655 ' HA ' HD13 ' A' ' 53' ' ' LEU . 4.7 p -71.66 -27.17 62.88 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.915 -0.491 . . . . 1.37 111.474 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.85 -23.17 24.07 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.123 0.416 . . . . 3.07 112.123 -178.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.653 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -107.24 -19.09 13.7 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.457 0.91 . . . . 2.78 113.457 -177.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.601 ' HB3' ' O ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -69.83 -15.74 63.15 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.194 0.521 . . . . 3.01 109.938 179.32 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.17 4.83 11.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.204 -0.907 . . . . 3.17 110.191 179.05 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m 62.56 31.76 16.78 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.677 -0.692 . . . . 3.96 111.14 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.984 0 CA-C-O 117.881 -1.057 . . . . 6.44 109.4 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 121.572 0.701 . . . . 6.57 109.565 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mt -73.3 166.1 23.81 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.029 -0.987 . . . . 5.39 110.16 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.7 91.64 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.194 0.521 . . . . 3.15 112.136 -178.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.409 ' OD1' ' HG3' ' A' ' 88' ' ' ARG . 3.6 t-20 -69.65 -34.47 74.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.567 -0.742 . . . . 2.24 110.207 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -35.59 76.75 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.5 -0.556 . . . . 0.91 109.5 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -38.14 78.53 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.017 -0.735 . . . . 3.67 109.017 178.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.441 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 1.7 ttt -62.01 -44.45 96.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.447 -0.797 . . . . 2.93 109.824 178.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.581 ' HA ' HD22 ' A' ' 84' ' ' LEU . 22.6 m -65.94 -44.92 83.64 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.022 -0.535 . . . . 0.38 111.103 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.479 ' CE1' ' HG3' ' A' ' 47' ' ' LYS . 9.0 t80 -65.68 -41.18 92.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.461 -0.791 . . . . 0.61 111.207 -179.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.489 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 4.5 mm-40 -75.65 -31.04 59.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.405 -0.361 . . . . 2.35 111.577 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 17' ' ' MET . 0.1 OUTLIER -68.83 -32.34 71.97 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.247 -0.649 . . . . 3.57 109.247 178.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.762 ' HB3' HD22 ' A' ' 46' ' ' LEU . 2.2 mt -73.64 -34.5 65.0 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.584 -0.735 . . . . 0.33 109.917 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.455 HH11 ' HD2' ' A' ' 23' ' ' ARG . 1.3 ttp180 -69.11 -41.78 76.95 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.27 -0.877 . . . . 3.33 110.362 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -68.2 -38.37 81.9 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.474 0.654 . . . . 2.36 110.132 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.588 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -68.03 -34.92 77.39 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.394 -0.821 . . . . 0.28 109.457 178.724 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.509 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -67.95 -35.39 78.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.618 -0.719 . . . . 0.86 111.414 179.879 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.25 -31.59 69.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.314 -0.403 . . . . 0.6 111.106 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.22 -54.45 4.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 1.31 111.865 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.536 ' HG ' HD22 ' A' ' 25' ' ' LEU . 28.1 mt -58.27 -37.63 75.36 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.465 0.543 . . . . 0.49 112.465 -179.116 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.4 -34.12 73.75 Favored Glycine 0 C--O 1.23 -0.143 0 C-N-CA 120.869 -0.682 . . . . 0.65 112.546 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -89.53 -14.69 34.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.432 0.634 . . . . 1.94 110.327 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.505 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -91.32 -4.22 56.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.737 -0.665 . . . . 3.82 110.946 -179.675 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -53.67 23.98 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.122 -0.49 . . . . 1.84 111.109 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 23.8 t 59.76 100.88 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.615 0 O-C-N 123.818 0.699 . . . . 1.87 111.408 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 11.5 Cg_exo -67.63 145.95 75.61 Favored 'Cis proline' 0 C--N 1.348 0.509 0 C-N-CA 123.229 -1.571 . . . . 1.86 112.446 0.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 35' ' ' PRO . 53.0 Cg_exo -53.9 132.01 47.4 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.07 2.513 . . . . 1.42 112.029 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.8 t -73.98 -26.67 21.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.975 -0.557 . . . . 2.02 111.042 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.63 -53.14 4.69 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.38 -1.088 . . . . 1.27 110.38 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -133.41 87.79 2.42 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.609 -0.886 . . . . 2.13 108.609 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.568 ' HZ ' ' HB2' ' A' ' 76' ' ' TYR . 8.3 t80 -50.38 -78.79 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 O-C-N 124.168 0.917 . . . . 0.52 109.649 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.83 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 7.1 tpp -116.98 127.97 26.35 Favored Pre-proline 0 C--N 1.319 -0.753 0 N-CA-C 108.875 -0.787 . . . . 0.28 108.875 177.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 41' ' ' MET . 24.5 Cg_exo -64.15 150.06 89.1 Favored 'Trans proline' 0 C--O 1.238 0.492 0 C-N-CA 122.204 1.936 . . . . 0.29 111.573 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.506 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -51.28 -36.27 41.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.044 0.84 . . . . 1.51 111.495 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.461 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -62.32 -53.5 54.12 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.747 -0.66 . . . . 0.57 111.677 -179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.457 ' O ' ' HB3' ' A' ' 49' ' ' MET . 40.4 mm -64.73 -35.58 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.34 111.165 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.762 HD22 ' HB3' ' A' ' 22' ' ' LEU . 70.3 mt -61.47 -35.99 79.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.198 -0.455 . . . . 0.26 111.002 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 18.7 mttt -70.42 -51.65 27.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.316 0.487 . . . . 0.97 112.316 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -67.59 -38.53 84.16 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.872 0.323 . . . . 0.77 111.872 -178.724 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.457 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -69.86 -30.15 67.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.425 -0.352 . . . . 1.07 110.373 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.67 -31.62 65.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.606 -0.27 . . . . 0.22 111.397 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.22 -45.44 15.05 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.168 0.433 . . . . 0.3 112.168 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 mp -82.05 -38.23 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 111.765 0.283 . . . . 0.37 111.765 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 53' ' ' LEU . 4.8 mt 54.75 69.49 2.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 O-C-N 123.803 0.689 . . . . 0.41 110.457 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.428 ' HG2' ' CE1' ' A' ' 60' ' ' PHE . 24.7 Cg_exo -61.49 109.8 0.81 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.545 2.164 . . . . 0.48 111.877 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -15.34 60.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.932 -0.576 . . . . 1.66 110.931 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -143.67 162.98 34.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 2.68 110.553 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.93 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 0.1 OUTLIER -67.99 -14.57 63.07 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.986 0.422 . . . . 2.68 111.066 -179.511 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -44.52 60.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.141 0.496 . . . . 1.02 110.483 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.84 -27.11 68.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.62 0.724 . . . . 0.62 110.639 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.93 ' HD2' ' HA ' ' A' ' 57' ' ' ASP . 2.9 m-85 -53.6 -25.98 19.87 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.968 -1.014 . . . . 0.46 113.0 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.45 -26.14 66.52 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.034 0.383 . . . . 0.67 112.034 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.6 -2.2 57.91 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 122.059 -0.401 . . . . 1.13 111.841 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 63' ' ' LEU . 4.8 mt -72.25 -25.27 61.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.434 0.635 . . . . 0.68 109.516 178.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.7 -113.22 1.73 Allowed Glycine 0 N--CA 1.439 -1.166 0 N-CA-C 111.128 -0.789 . . . . 1.61 111.128 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.39 72.43 1.5 Allowed 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 120.545 0.212 . . . . 2.55 110.636 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.27 129.07 35.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 N-CA-C 109.901 -0.407 . . . . 0.89 109.901 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.412 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.6 OUTLIER -49.44 150.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.897 -0.592 . . . . 2.42 111.651 -179.119 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.07 -39.69 79.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.407 0.622 . . . . 1.72 109.568 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.474 ' O ' ' HD2' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -71.88 -26.5 62.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.088 -0.96 . . . . 1.97 110.518 179.173 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.481 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . 14.1 m-30 -73.68 -39.21 64.58 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.057 -0.72 . . . . 1.29 109.057 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.762 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -69.35 -34.26 74.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.925 -0.768 . . . . 2.55 108.925 177.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.461 ' O ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -64.1 -49.55 71.81 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.479 -0.782 . . . . 4.38 111.082 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.481 ' CD ' ' HA ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -83.15 -4.32 58.26 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.592 -0.443 . . . . 1.44 110.912 179.879 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.762 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -53.57 -31.15 45.49 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.201 -0.454 . . . . 0.36 110.151 178.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.461 ' HD3' ' O ' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -57.06 -24.32 53.04 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.9 -0.591 . . . . 1.72 111.931 179.619 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.568 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 75.9 m-85 -81.33 -10.21 59.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.17 0.509 . . . . 0.99 110.306 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.83 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.2 OUTLIER -106.69 -16.76 14.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.193 -0.912 . . . . 0.27 109.889 179.027 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -30.75 64.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.987 -0.552 . . . . 1.37 111.428 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.62 -31.28 66.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.995 0.426 . . . . 0.56 110.686 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -44.33 14.35 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.716 -0.674 . . . . 0.53 111.497 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 77' ' ' PHE . 51.4 mt -59.16 -34.72 54.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.424 -0.353 . . . . 0.55 110.559 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.21 -26.99 47.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.916 0.389 . . . . 0.53 111.431 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -82.59 -42.23 18.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.509 -0.314 . . . . 1.4 111.417 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.581 HD22 ' HA ' ' A' ' 18' ' ' THR . 6.3 mt -64.27 -28.56 69.81 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.876 0.324 . . . . 0.48 111.876 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.25 -30.05 64.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.267 0.556 . . . . 1.37 110.468 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm -80.96 -32.14 34.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.821 -0.627 . . . . 3.07 109.73 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -81.36 -12.64 58.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.666 -0.697 . . . . 2.78 110.624 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' HG3' ' OD1' ' A' ' 14' ' ' ASN . 0.6 OUTLIER -68.84 -22.1 64.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.787 -0.642 . . . . 3.01 111.154 179.821 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.97 52.84 1.1 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.338 -0.392 . . . . 3.17 111.756 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 52.82 40.68 31.08 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.123 0.569 . . . . 3.96 112.284 178.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.297 -0.859 . . . . 6.44 110.212 179.556 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.731 ' HA ' ' HG2' ' A' ' 91' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--O 1.235 0.301 0 CA-C-O 121.189 0.519 . . . . 6.57 110.048 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.444 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -117.52 -2.99 11.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.749 -0.66 . . . . 5.39 111.096 -178.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -76.63 -48.65 18.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.96 -0.756 . . . . 3.15 108.96 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.589 ' HB3' ' HG2' ' A' ' 88' ' ' ARG . 2.9 t-20 -74.94 -21.11 59.38 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.123 -0.695 . . . . 2.24 109.123 178.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.62 HD11 ' HA ' ' A' ' 51' ' ' ALA . 1.6 tt -62.82 -33.2 74.72 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 115.648 -0.706 . . . . 0.91 109.327 178.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -38.04 86.59 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.422 -0.955 . . . . 3.67 108.422 178.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -36.72 80.56 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.697 -0.683 . . . . 2.93 110.022 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.572 ' HA ' HD22 ' A' ' 84' ' ' LEU . 7.6 m -58.84 -52.82 64.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.457 0.646 . . . . 0.38 109.307 178.371 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.429 ' CE1' ' HG3' ' A' ' 47' ' ' LYS . 73.1 t80 -63.43 -39.92 95.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.084 -0.962 . . . . 0.61 110.635 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.5 -47.1 85.45 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.775 -0.648 . . . . 2.35 111.014 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -64.08 -32.96 74.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.993 0.425 . . . . 3.57 110.922 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.891 ' HB3' HD22 ' A' ' 46' ' ' LEU . 4.4 mt -66.91 -36.47 82.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.118 -0.492 . . . . 0.33 110.098 179.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.39 -38.63 55.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.119 0.485 . . . . 3.33 110.343 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' HG2' ' NH2' ' A' ' 21' ' ' ARG . 3.1 tp10 -64.51 -35.05 79.71 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.229 -0.656 . . . . 2.36 109.229 178.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.581 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -76.55 -35.63 58.13 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.191 -0.913 . . . . 0.28 109.343 179.035 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.683 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 1.5 t -63.77 -36.82 85.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.86 111.158 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 mp -80.85 -33.08 34.78 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.452 -0.499 . . . . 0.6 110.788 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -71.75 -52.01 19.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.883 0.373 . . . . 1.31 110.454 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.581 ' HG ' HD22 ' A' ' 25' ' ' LEU . 46.5 mt -65.33 -40.11 93.27 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.945 -0.57 . . . . 0.49 109.881 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' A' ' 36' ' ' PRO . . . -60.78 -43.54 99.05 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.708 -0.758 . . . . 0.65 112.474 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.498 ' HA ' ' HB3' ' A' ' 36' ' ' PRO . 44.5 t30 -72.02 -16.46 62.06 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.374 0.606 . . . . 1.94 110.861 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -87.68 -4.97 58.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.902 0.858 . . . . 3.82 109.545 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 6.2 mtt -104.8 159.82 15.48 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.065 -0.971 . . . . 1.84 109.817 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.3 t -125.75 118.44 24.29 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 110.071 -0.344 . . . . 1.87 110.071 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.46 152.72 90.86 Favored 'Cis proline' 0 C--O 1.237 0.455 0 C-N-CA 123.159 -1.6 . . . . 1.86 112.471 0.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.537 ' HA ' ' O ' ' A' ' 30' ' ' GLY . 53.3 Cg_exo -51.04 127.35 21.45 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.484 2.123 . . . . 1.42 112.082 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.07 102.85 14.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.388 -0.823 . . . . 2.02 111.732 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.31 -32.26 75.57 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 110.497 -1.041 . . . . 1.27 110.497 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -105.87 66.19 0.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 107.865 -1.161 . . . . 2.13 107.865 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.683 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 27.0 t80 -61.11 -42.56 98.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.762 -1.108 . . . . 0.52 109.729 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.626 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 5.9 tpp -132.57 131.89 22.43 Favored Pre-proline 0 C--N 1.317 -0.818 0 N-CA-C 108.005 -1.109 . . . . 0.28 108.005 177.045 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.772 ' HG2' ' HE2' ' A' ' 70' ' ' TYR . 72.1 Cg_exo -54.01 140.52 69.59 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.826 2.351 . . . . 0.29 112.923 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -51.66 -43.67 62.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.955 -1.02 . . . . 1.51 111.572 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.424 ' O ' ' HE2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -65.0 -48.12 75.06 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.674 -0.694 . . . . 0.57 111.364 -179.607 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.406 HD13 ' HE3' ' A' ' 48' ' ' LYS . 4.8 mm -63.35 -36.7 77.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.383 -0.371 . . . . 0.34 111.001 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.891 HD22 ' HB3' ' A' ' 22' ' ' LEU . 48.1 mt -63.83 -38.6 91.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.913 0.387 . . . . 0.26 111.101 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.429 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 20.0 mttt -67.28 -46.41 73.71 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.974 0.731 . . . . 0.97 112.974 -178.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' HE2' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -69.97 -39.72 75.82 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.625 -0.43 . . . . 0.77 111.384 -179.328 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.473 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -66.09 -32.02 73.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.843 -0.617 . . . . 1.07 110.54 -179.658 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.44 -28.35 52.44 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.239 0.542 . . . . 0.22 110.777 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.62 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -77.92 -36.78 49.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.208 0.447 . . . . 0.3 112.208 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mp -97.8 -34.57 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 111.774 0.287 . . . . 0.37 111.774 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.834 HD13 ' HA ' ' A' ' 85' ' ' SER . 18.4 mt 59.02 75.75 0.49 Allowed Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.563 -0.744 . . . . 0.41 111.14 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -76.67 106.26 2.22 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.981 2.454 . . . . 0.48 112.462 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.482 ' HG2' ' HA ' ' A' ' 82' ' ' ALA . 1.6 mtp -84.35 -11.77 55.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.237 0.541 . . . . 1.66 110.212 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -126.59 155.24 42.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.756 -0.656 . . . . 2.68 110.524 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 60' ' ' PHE . 0.2 OUTLIER -68.04 -27.64 66.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.726 -0.67 . . . . 2.68 111.43 -179.639 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.3 -30.64 70.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.253 0.549 . . . . 1.02 110.348 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.73 -26.31 60.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.791 -0.641 . . . . 0.62 110.261 179.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.722 ' HE2' ' HE3' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -60.18 -27.32 67.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.466 -0.788 . . . . 0.46 112.122 -179.497 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.6 -26.06 66.07 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.01 0.374 . . . . 0.67 112.01 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -7.31 59.64 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.193 0.442 . . . . 1.13 112.193 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.473 HD21 ' HA ' ' A' ' 49' ' ' MET . 12.8 mt -65.83 -36.17 82.74 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 108.66 -0.867 . . . . 0.68 108.66 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.12 44.15 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.831 0 CA-C-N 114.572 -1.195 . . . . 1.61 110.751 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 48.56 77.78 0.09 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.772 0.829 . . . . 2.55 112.061 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.8 m -72.01 139.95 18.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.815 -0.63 . . . . 0.89 110.653 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.623 ' HB3' ' HD3' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -67.0 157.18 34.08 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.903 -0.406 . . . . 2.42 109.903 179.748 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.98 -35.93 76.06 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.138 -0.225 . . . . 1.72 111.076 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.623 ' HD3' ' HB3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -65.21 -25.99 67.94 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.923 0.392 . . . . 1.97 111.002 179.709 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.772 ' HE2' ' HG2' ' A' ' 42' ' ' PRO . 40.3 m-85 -76.48 -33.01 58.69 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.083 -0.71 . . . . 1.29 109.083 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.713 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 5.1 mtm105 -67.31 -31.14 71.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.137 -0.938 . . . . 2.55 109.769 178.359 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.628 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 7.5 mmm180 -50.44 -56.37 11.77 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.297 -0.865 . . . . 4.38 112.137 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.561 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -88.54 -3.27 58.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.197 0.523 . . . . 1.44 109.9 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.713 ' HB2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -63.42 -35.28 79.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.812 -0.631 . . . . 0.36 109.724 178.828 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 18.1 ptpt -61.08 -24.88 66.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.192 -0.913 . . . . 1.72 111.937 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 73' ' ' ARG . 65.5 m-85 -78.21 -9.31 59.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.99 110.564 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.626 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 5.2 m-85 -108.24 -16.96 14.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.201 -0.454 . . . . 0.27 110.557 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.722 ' HE3' ' HE2' ' A' ' 60' ' ' PHE . 0.1 OUTLIER -49.54 -34.65 18.0 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.819 1.044 . . . . 1.37 113.819 -177.592 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.93 -36.47 69.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.914 -0.492 . . . . 0.56 111.198 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.39 -43.31 33.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.852 -0.613 . . . . 0.53 111.776 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 77' ' ' PHE . 19.6 mt -59.88 -34.06 54.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.55 110.377 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.482 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -75.43 -27.18 58.86 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.067 0.46 . . . . 0.53 110.956 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -82.59 -46.97 12.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 1.4 111.331 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.572 HD22 ' HA ' ' A' ' 18' ' ' THR . 11.8 mt -62.01 -28.51 69.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.076 -0.511 . . . . 0.48 112.031 -179.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.834 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -69.67 -27.56 65.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.826 0.346 . . . . 1.37 111.433 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.4 -3.44 56.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.891 0.377 . . . . 3.07 111.03 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -110.19 -30.59 7.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.1 -0.5 . . . . 2.78 110.675 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.589 ' HG2' ' HB3' ' A' ' 14' ' ' ASN . 1.3 ttp180 -83.39 -1.74 54.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 3.01 111.391 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -34.44 61.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.247 0.546 . . . . 3.17 109.557 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.8 104.14 15.81 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.266 -0.879 . . . . 3.96 110.91 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.731 ' HG2' ' HA ' ' A' ' 11' ' ' GLU . 7.4 tp10 . . . . . 0 C--O 1.25 1.085 0 CA-C-N 115.855 -0.611 . . . . 6.44 109.561 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 CA--C 1.535 0.367 0 N-CA-C 112.355 0.502 . . . . 6.57 112.355 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.71 -41.62 83.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.275 0.559 . . . . 5.39 111.113 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.9 34.99 1.29 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.327 -0.397 . . . . 3.15 111.215 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -68.13 -45.95 72.22 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.514 0.19 . . . . 2.24 111.514 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -69.37 -33.36 72.95 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.352 -0.539 . . . . 0.91 110.858 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -67.24 -35.27 79.21 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.917 -0.772 . . . . 3.67 108.917 178.639 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -43.23 94.09 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 115.551 -0.75 . . . . 2.93 109.091 177.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.811 HG23 HD13 ' A' ' 84' ' ' LEU . 57.4 m -60.3 -44.36 95.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.777 -0.647 . . . . 0.38 110.252 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -65.05 -44.47 88.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.985 -0.552 . . . . 0.61 110.918 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -67.99 -35.97 79.23 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.062 -0.255 . . . . 2.35 111.335 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -32.73 74.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.184 0.516 . . . . 3.57 110.072 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.756 ' HB3' HD22 ' A' ' 46' ' ' LEU . 7.9 mt -75.25 -32.39 61.07 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.322 -0.622 . . . . 0.33 109.322 177.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 23' ' ' ARG . 13.8 ttt180 -70.31 -40.9 73.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.907 -0.588 . . . . 3.33 109.835 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.79 -36.38 80.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 2.36 110.351 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.689 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -74.57 -33.61 62.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.472 -0.786 . . . . 0.28 110.199 179.517 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.712 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -63.45 -37.05 85.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.748 -0.66 . . . . 0.86 110.836 179.671 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.14 -32.37 56.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.518 0.675 . . . . 0.6 109.713 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -67.96 -56.87 7.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.319 -0.855 . . . . 1.31 111.303 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 76' ' ' TYR . 58.6 mt -68.04 -32.58 73.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 0.49 110.745 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.17 -36.33 92.21 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.623 -0.799 . . . . 0.65 112.097 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -15.19 37.43 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.07 0.462 . . . . 1.94 111.021 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -92.67 -2.95 55.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.598 0.713 . . . . 3.82 109.85 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.61 152.91 18.02 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.444 -0.798 . . . . 1.84 109.136 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.455 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 1.6 t -120.8 114.82 32.38 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 116.109 -0.496 . . . . 1.87 110.234 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 60.8 Cg_endo -85.1 162.49 63.32 Favored 'Cis proline' 0 N--CA 1.458 -0.575 0 C-N-CA 123.171 -1.596 . . . . 1.86 111.954 0.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.42 120.76 6.75 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.754 2.303 . . . . 1.42 112.809 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -75.97 -37.12 33.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.576 -1.193 . . . . 2.02 111.492 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.64 -73.0 2.13 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.349 -1.1 . . . . 1.27 110.349 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -95.43 71.56 3.18 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.716 -0.846 . . . . 2.13 108.716 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.712 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 13.2 t80 -48.48 -77.36 0.02 OUTLIER 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.025 -0.989 . . . . 0.52 110.453 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.733 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 35.2 tpp -107.71 125.07 33.07 Favored Pre-proline 0 N--CA 1.441 -0.907 0 N-CA-C 108.995 -0.742 . . . . 0.28 108.995 178.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -53.03 145.97 39.62 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 123.071 2.514 . . . . 0.29 112.41 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.82 -44.39 66.65 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.794 -0.639 . . . . 1.51 111.425 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.497 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -61.68 -40.43 94.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.852 -0.613 . . . . 0.57 111.04 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.482 ' O ' ' HB3' ' A' ' 49' ' ' MET . 7.3 mm -71.32 -37.22 64.61 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-N 116.211 -0.449 . . . . 0.34 110.777 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.756 HD22 ' HB3' ' A' ' 22' ' ' LEU . 84.1 mt -61.51 -36.55 80.85 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.959 -0.386 . . . . 0.26 109.959 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 mttp -69.68 -50.14 46.75 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.298 0.481 . . . . 0.97 112.298 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -66.44 -39.48 88.92 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 120.67 -0.412 . . . . 0.77 110.91 -179.201 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.566 ' HE3' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -69.2 -29.93 68.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.249 -0.432 . . . . 1.07 110.444 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.31 -31.59 38.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.22 111.202 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.455 ' HA ' HD21 ' A' ' 15' ' ' LEU . . . -78.77 -40.12 34.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.574 -0.284 . . . . 0.3 111.335 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -88.8 -35.6 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.458 -0.337 . . . . 0.37 110.992 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 53' ' ' LEU . 15.1 mt 52.89 70.2 1.96 Allowed Pre-proline 0 C--N 1.327 -0.398 0 O-C-N 123.971 0.794 . . . . 0.41 109.883 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.492 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 3.0 Cg_exo -73.21 108.54 2.63 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 123.328 2.686 . . . . 0.48 112.475 -178.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -21.38 42.82 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.913 -0.585 . . . . 1.66 110.467 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -116.99 173.67 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.283 -0.417 . . . . 2.68 110.655 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.06 -13.65 52.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.038 0.447 . . . . 2.68 111.149 -179.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -46.54 56.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.061 0.458 . . . . 1.02 110.447 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 54' ' ' PRO . . . -63.19 -23.97 67.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.224 0.535 . . . . 0.62 110.302 178.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.489 ' HD1' ' HA ' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -62.46 -26.57 68.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.638 -0.71 . . . . 0.46 111.859 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.22 -25.4 68.05 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.872 0.323 . . . . 0.67 111.872 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.04 1.42 35.84 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.008 0.374 . . . . 1.13 112.008 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.5 mt -80.58 -31.94 36.65 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 107.795 -1.187 . . . . 0.68 107.795 177.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.26 -64.7 3.72 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 115.167 -0.924 . . . . 1.61 115.1 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.11 33.12 0.49 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 115.222 1.564 . . . . 2.55 115.222 -176.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.44 ' CG1' HD12 ' A' ' 45' ' ' ILE . 33.7 m -118.47 102.35 13.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.888 0.851 . . . . 0.89 109.342 176.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -77.48 -177.37 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.261 -0.881 . . . . 2.42 110.44 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -54.87 -40.25 69.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.212 -0.449 . . . . 1.72 111.365 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.406 ' HD2' ' H ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -70.92 -31.18 67.71 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.274 -0.421 . . . . 1.97 111.336 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -76.24 -37.6 57.45 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.42 -0.585 . . . . 1.29 109.42 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.845 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 16.3 mmm-85 -69.21 -33.84 73.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.54 -0.755 . . . . 2.55 110.501 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.449 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -65.51 -61.94 1.81 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.734 -0.666 . . . . 4.38 112.356 -179.167 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -4.45 6.76 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.21 0.529 . . . . 1.44 111.127 -179.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.845 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -57.77 -29.15 64.6 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.872 -0.603 . . . . 0.36 110.054 178.027 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 2.0 pttt -52.67 -25.0 9.6 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.215 -0.902 . . . . 1.72 112.345 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.547 ' HB3' HD13 ' A' ' 29' ' ' LEU . 74.8 m-85 -82.68 -8.23 59.61 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 120.951 0.405 . . . . 0.99 111.266 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.733 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.3 OUTLIER -110.92 -12.47 14.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.359 -0.382 . . . . 0.27 110.844 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.04 -34.56 56.98 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.912 0.708 . . . . 1.37 112.912 -177.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.94 -32.29 63.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.162 0.506 . . . . 0.56 110.534 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -51.73 17.01 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.312 -0.858 . . . . 0.53 110.76 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 77' ' ' PHE . 13.1 mt -55.93 -42.53 71.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.457 -0.792 . . . . 0.55 110.909 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.68 -38.02 80.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 0.53 111.959 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -70.62 -39.8 73.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.447 -0.342 . . . . 1.4 111.056 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.811 HD13 HG23 ' A' ' 18' ' ' THR . 27.0 mt -67.68 -31.94 72.25 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.375 0.509 . . . . 0.48 112.375 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -28.97 63.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.171 0.51 . . . . 1.37 109.856 178.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.18 -29.59 48.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.778 -0.646 . . . . 3.07 110.191 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -83.55 -15.22 50.08 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.092 -0.504 . . . . 2.78 111.148 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.86 154.17 38.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 3.01 110.588 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.49 68.22 1.57 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.993 0.425 . . . . 3.17 111.636 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.2 m 56.83 49.13 14.75 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.428 -0.805 . . . . 3.96 111.686 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.931 -0.557 . . . . 6.44 109.696 179.554 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.207 0 CA-C-O 120.876 0.37 . . . . 6.57 110.814 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.3 mt -108.3 -8.32 15.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.588 0.708 . . . . 5.39 109.741 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.813 ' HB2' ' HB3' ' A' ' 16' ' ' ARG . 16.5 p-10 -88.14 50.83 2.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.19 -0.914 . . . . 3.15 111.958 -179.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -46.6 85.74 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.871 -0.418 . . . . 2.24 109.871 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.751 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -82.54 -30.95 29.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.751 -0.659 . . . . 0.91 110.351 178.911 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.813 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -65.47 -38.19 89.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.951 -0.568 . . . . 3.67 110.664 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.2 ttm -61.36 -41.91 97.85 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.287 -0.635 . . . . 2.93 109.287 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.586 HG23 HD13 ' A' ' 84' ' ' LEU . 1.5 m -63.3 -48.65 77.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.305 -0.861 . . . . 0.38 110.562 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.453 ' CE1' ' HG3' ' A' ' 47' ' ' LYS . 89.2 t80 -62.06 -43.2 99.35 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.871 -0.604 . . . . 0.61 111.092 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -41.91 77.31 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.026 -0.533 . . . . 2.35 111.21 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.19 -40.55 94.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.251 0.548 . . . . 3.57 110.974 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.674 ' HB3' HD22 ' A' ' 46' ' ' LEU . 1.1 mt -68.26 -36.89 80.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.693 -0.685 . . . . 0.33 110.209 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -45.62 91.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.261 0.553 . . . . 3.33 110.519 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.89 -34.61 76.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.612 -0.722 . . . . 2.36 111.025 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.696 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -74.52 -32.05 62.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.194 -0.457 . . . . 0.28 110.277 -179.501 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.712 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 23.5 m -66.68 -36.36 82.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.946 0.403 . . . . 0.86 110.076 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -74.65 -32.02 62.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.851 -0.613 . . . . 0.6 110.627 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.08 -55.92 5.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.991 -0.55 . . . . 1.31 111.78 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.585 ' HG ' HD22 ' A' ' 25' ' ' LEU . 67.1 mt -64.94 -41.3 95.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.532 -0.304 . . . . 0.49 111.44 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.74 -43.38 97.86 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.794 -0.717 . . . . 0.65 113.159 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -78.07 -13.41 59.88 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 117.194 0.497 . . . . 1.94 111.54 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.57 -4.91 47.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.958 0.408 . . . . 3.82 110.579 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.82 159.24 21.44 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.585 -0.524 . . . . 1.84 109.585 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 42.7 t -136.3 111.88 10.06 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.578 -0.283 . . . . 1.87 110.596 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 13.4 Cg_exo -70.75 149.34 90.8 Favored 'Cis proline' 0 C--N 1.347 0.498 0 C-N-CA 123.685 -1.381 . . . . 1.86 112.128 -0.015 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' PRO . 52.2 Cg_exo -57.65 130.58 39.45 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.649 2.233 . . . . 1.42 112.491 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.39 121.9 36.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.735 -0.666 . . . . 2.02 109.518 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.54 -53.54 43.06 Favored Glycine 0 CA--C 1.504 -0.651 0 N-CA-C 110.716 -0.954 . . . . 1.27 110.716 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -114.84 93.56 4.37 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 122.285 1.04 . . . . 2.13 109.467 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.712 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 17.7 t80 -60.58 -57.63 11.91 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.251 -0.886 . . . . 0.52 108.915 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.706 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -134.63 126.2 17.94 Favored Pre-proline 0 N--CA 1.441 -0.877 0 CA-C-N 115.335 -0.848 . . . . 0.28 108.849 177.871 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 41' ' ' MET . 26.2 Cg_exo -63.81 148.96 91.73 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.697 2.264 . . . . 0.29 112.345 -178.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -52.48 -37.59 57.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.499 -0.773 . . . . 1.51 110.812 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.557 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -64.05 -52.08 61.07 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.777 -0.647 . . . . 0.57 111.095 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.442 ' O ' ' HB3' ' A' ' 49' ' ' MET . 19.5 mm -64.08 -37.68 80.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.615 -0.72 . . . . 0.34 111.343 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.807 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 50.4 mt -62.0 -35.27 78.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.485 -0.325 . . . . 0.26 110.736 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.453 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 51.8 mttt -72.42 -43.05 64.4 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.194 0.442 . . . . 0.97 112.194 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.1 OUTLIER -73.85 -40.98 62.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.98 0.419 . . . . 0.77 110.739 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.807 ' SD ' ' HA ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -65.88 -31.1 71.85 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.188 -0.46 . . . . 1.07 111.074 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' A' ' 18' ' ' THR . . . -79.29 -27.95 42.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.001 0.429 . . . . 0.22 110.782 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.751 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -84.19 -39.38 19.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.022 -0.536 . . . . 0.3 112.397 -178.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.449 HG21 ' OG1' ' A' ' 62' ' ' THR . 1.2 mp -88.06 -34.37 7.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.693 0.283 . . . . 0.37 110.897 -179.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.549 HD23 HG23 ' A' ' 81' ' ' ILE . 11.1 mt 56.15 65.49 4.21 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 115.704 -0.68 . . . . 0.41 111.589 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.3 113.46 3.77 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.044 2.496 . . . . 0.48 111.579 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.456 ' HG2' ' HA ' ' A' ' 82' ' ' ALA . 3.2 mtp -65.76 -25.96 67.5 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.29 0.478 . . . . 1.66 112.29 -178.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -150.54 -175.39 5.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.066 0.46 . . . . 2.68 111.656 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.666 ' HA ' ' CD2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -61.47 -31.75 71.73 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.083 -0.962 . . . . 2.68 112.34 -178.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -49.07 77.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.831 0.348 . . . . 1.02 111.719 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.31 -26.58 68.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.62 111.621 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.666 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 2.7 m-30 -50.52 -24.59 3.28 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.397 0.888 . . . . 0.46 113.397 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.48 -23.98 42.89 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.907 0.384 . . . . 0.67 111.507 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.449 ' OG1' HG21 ' A' ' 52' ' ' ILE . 77.5 p -79.13 -25.69 42.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.932 0.396 . . . . 1.13 111.119 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' ' 49' ' ' MET . 5.4 mt -66.5 -34.09 77.14 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.761 0.791 . . . . 0.68 109.724 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.98 -155.33 16.74 Favored Glycine 0 N--CA 1.438 -1.204 0 CA-C-N 114.724 -1.125 . . . . 1.61 111.063 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.28 68.85 9.94 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 111.906 0.336 . . . . 2.55 111.906 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.401 HG12 HD12 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -67.18 134.14 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 109.122 -0.695 . . . . 0.89 109.122 178.561 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.563 ' HG3' ' HD2' ' A' ' 69' ' ' LYS . 4.2 tp10 -57.73 153.11 14.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.149 0.5 . . . . 2.42 111.765 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -39.06 78.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.688 -0.687 . . . . 1.72 110.895 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.563 ' HD2' ' HG3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -70.56 -25.89 63.29 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.028 0.442 . . . . 1.97 110.696 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.484 ' HD2' ' HB3' ' A' ' 67' ' ' GLU . 31.4 m-85 -82.42 -35.6 27.46 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.547 -0.538 . . . . 1.29 109.547 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.729 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 6.5 ttp180 -65.62 -34.8 79.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.16 0.505 . . . . 2.55 109.922 177.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -68.58 0.28 Allowed 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 115.544 -0.753 . . . . 4.38 112.431 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -4.97 10.82 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.583 0.23 . . . . 1.44 111.492 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.729 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -55.54 -31.27 61.99 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 108.486 -0.931 . . . . 0.36 108.486 177.505 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.76 -26.92 15.66 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 114.556 -1.202 . . . . 1.72 112.004 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.496 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 52.2 m-85 -79.58 -8.89 59.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.084 0.468 . . . . 0.99 111.077 -179.283 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.706 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.9 OUTLIER -112.02 -15.76 13.22 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.109 -0.496 . . . . 0.27 110.51 178.749 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -32.19 70.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.146 -0.479 . . . . 1.37 112.014 -178.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.02 -33.7 65.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.037 0.446 . . . . 0.56 111.01 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.16 -46.81 14.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.955 -0.566 . . . . 0.53 111.812 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.549 HG23 HD23 ' A' ' 53' ' ' LEU . 90.2 mt -60.98 -33.35 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.981 0.419 . . . . 0.55 110.21 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.456 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -70.94 -24.19 62.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.489 0.662 . . . . 0.53 110.356 178.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -90.11 -39.52 12.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.805 -0.634 . . . . 1.4 110.757 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.586 HD13 HG23 ' A' ' 18' ' ' THR . 10.1 mt -57.35 -27.67 62.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.999 -0.546 . . . . 0.48 112.078 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.489 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -66.81 -28.78 68.64 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.029 0.443 . . . . 1.37 110.377 179.038 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -90.77 -35.0 15.11 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 109.341 -0.614 . . . . 3.07 109.341 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 84' ' ' LEU . 5.2 mmtm -65.89 -25.63 67.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.185 -0.916 . . . . 2.78 111.069 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -28.05 68.34 Favored 'General case' 0 N--CA 1.462 0.162 0 O-C-N 123.287 0.367 . . . . 3.01 110.599 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.9 -48.38 3.93 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.919 -0.582 . . . . 3.17 109.923 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.94 98.78 4.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.455 -0.339 . . . . 3.96 110.427 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.681 -0.676 . . . . 6.44 111.527 -179.504 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 CA--C 1.519 -0.241 0 N-CA-C 109.495 -0.557 . . . . 2.24 109.495 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.48 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -61.51 -35.24 77.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.731 -0.668 . . . . 0.91 110.084 178.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -39.27 79.92 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.14 -0.689 . . . . 3.67 109.14 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.42 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -66.49 -34.07 77.11 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.887 -0.782 . . . . 2.93 108.887 178.287 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.949 HG23 HD13 ' A' ' 84' ' ' LEU . 36.2 m -66.09 -52.68 46.49 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.388 -0.824 . . . . 0.38 110.309 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -57.5 -39.92 77.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.75 -0.659 . . . . 0.61 110.786 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.77 -43.05 66.4 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.911 -0.586 . . . . 2.35 110.625 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -61.65 -33.21 73.55 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.235 0.54 . . . . 3.57 110.015 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.835 ' HB3' HD22 ' A' ' 46' ' ' LEU . 2.6 mt -71.36 -41.11 70.14 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.388 -0.824 . . . . 0.33 109.673 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -62.89 -41.42 99.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.345 0.593 . . . . 3.33 110.245 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -70.75 -36.74 73.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.666 -0.697 . . . . 2.36 111.003 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.557 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -73.75 -38.45 64.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.865 -0.607 . . . . 0.28 110.681 -178.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.876 ' HG ' ' HZ ' ' A' ' 77' ' ' PHE . 18.8 m -62.44 -39.06 92.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.691 0.282 . . . . 0.86 110.68 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mp -77.85 -29.45 50.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.162 0.506 . . . . 0.6 110.485 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -70.06 -60.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.879 -0.6 . . . . 1.31 110.921 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.5 mt -66.42 -31.76 72.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.023 0.44 . . . . 0.49 110.776 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.5 -34.97 91.06 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.553 -0.832 . . . . 0.65 113.014 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -87.56 -11.96 47.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.376 0.608 . . . . 1.94 110.094 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -90.39 -3.1 57.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.845 -0.616 . . . . 3.82 110.216 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.406 ' SD ' HG22 ' A' ' 37' ' ' VAL . 8.7 ttm -97.11 142.74 28.68 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.446 -0.576 . . . . 1.84 109.446 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 2.1 t -121.92 115.61 30.49 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 120.804 -0.358 . . . . 1.87 110.553 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 71.6 Cg_endo -78.11 158.34 93.84 Favored 'Cis proline' 0 C--O 1.237 0.45 0 C-N-CA 123.403 -1.499 . . . . 1.86 112.207 0.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -50.88 140.19 39.17 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.918 2.412 . . . . 1.42 112.731 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.406 HG22 ' SD ' ' A' ' 33' ' ' MET . 1.2 t -76.99 -41.22 31.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.237 -0.892 . . . . 2.02 111.846 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.79 -62.44 4.55 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 109.832 -1.307 . . . . 1.27 109.832 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -115.41 80.9 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.554 -0.906 . . . . 2.13 108.554 177.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.71 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 27.9 t80 -60.75 -42.87 98.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.632 -0.713 . . . . 0.52 110.256 -178.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.662 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 7.0 tpp -146.51 125.1 6.34 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 115.351 -0.841 . . . . 0.28 109.329 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.85 147.38 92.74 Favored 'Trans proline' 0 C--O 1.239 0.572 0 C-N-CA 122.736 2.291 . . . . 0.29 112.183 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.56 ' HA ' HD12 ' A' ' 46' ' ' LEU . 18.5 t70 -51.25 -39.97 57.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.347 -0.842 . . . . 1.51 111.746 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.584 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -64.1 -47.56 79.55 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.547 -0.297 . . . . 0.57 111.344 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.814 HD12 HG12 ' A' ' 66' ' ' VAL . 28.4 mm -64.73 -38.29 82.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.511 0.196 . . . . 0.34 110.727 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.835 HD22 ' HB3' ' A' ' 22' ' ' LEU . 26.6 mt -60.78 -35.75 77.24 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-O 120.896 0.379 . . . . 0.26 110.123 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -69.46 -55.53 9.99 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.815 0.672 . . . . 0.97 112.815 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -65.38 -41.16 94.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.65 0.262 . . . . 0.77 111.529 -178.498 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.457 ' SD ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -66.95 -30.32 70.42 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.672 -0.411 . . . . 1.07 110.857 -179.394 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.78 -30.05 62.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.702 0.286 . . . . 0.22 111.601 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.48 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -87.93 -42.73 12.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.13 0.49 . . . . 0.3 112.119 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mp -80.79 -34.37 13.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.79 -0.364 . . . . 0.37 110.826 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.585 HD13 ' HA ' ' A' ' 85' ' ' SER . 28.4 mt 49.81 68.35 3.55 Favored Pre-proline 0 N--CA 1.466 0.332 0 CA-C-N 115.528 -0.76 . . . . 0.41 111.513 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -79.37 119.02 4.05 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.926 2.417 . . . . 0.48 111.196 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.457 ' HG2' ' HA ' ' A' ' 82' ' ' ALA . 8.1 mtp -96.32 8.53 43.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.042 -0.526 . . . . 1.66 111.649 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -152.25 157.61 41.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.509 -0.314 . . . . 2.68 111.066 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -35.61 80.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.077 -0.511 . . . . 2.68 110.37 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -23.12 66.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.873 -0.603 . . . . 1.02 110.387 179.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.91 -30.6 16.8 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.03 -0.532 . . . . 0.62 110.494 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.97 -26.53 6.1 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.475 -0.784 . . . . 0.46 112.299 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.55 -21.01 59.67 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.308 0.485 . . . . 0.67 112.308 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.5 p -79.99 -1.99 42.05 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.948 0.404 . . . . 1.13 111.585 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 63' ' ' LEU . 13.6 mt -76.8 -3.43 38.29 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.147 0.499 . . . . 0.68 109.94 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.2 -70.99 3.01 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.764 -0.653 . . . . 1.61 112.671 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.81 98.83 3.01 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.319 0.859 . . . . 2.55 113.319 -178.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.814 HG12 HD12 ' A' ' 45' ' ' ILE . 5.2 m -116.47 121.67 68.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.792 -0.818 . . . . 0.89 108.792 176.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.444 ' HB3' ' HG2' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -55.07 151.35 9.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.933 -0.576 . . . . 2.42 110.588 -178.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.77 -33.14 72.51 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.798 -0.445 . . . . 1.72 109.798 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.444 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -70.55 -27.28 64.03 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.669 -0.696 . . . . 1.97 109.642 178.426 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -76.08 -34.58 59.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.658 -0.701 . . . . 1.29 109.213 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.757 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 3.5 ttp180 -64.58 -32.91 74.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.422 -0.808 . . . . 2.55 111.166 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.521 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 11.9 mtp-105 -63.66 -67.78 0.4 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.45 -0.341 . . . . 4.38 111.846 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -5.5 5.42 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.118 0.485 . . . . 1.44 111.888 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.757 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -58.1 -35.11 70.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.119 -0.946 . . . . 0.36 110.108 177.351 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 12.8 ptpt -55.34 -23.81 25.91 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.991 -1.004 . . . . 1.72 112.606 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.63 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 35.7 m-85 -83.58 -5.75 59.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.892 0.377 . . . . 0.99 111.581 -179.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.876 ' HZ ' ' HG ' ' A' ' 26' ' ' SER . 1.9 m-85 -107.67 -15.53 14.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.271 -0.422 . . . . 0.27 111.8 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -36.53 43.4 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.38 0.881 . . . . 1.37 113.38 -177.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.76 -32.36 73.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.757 0.313 . . . . 0.56 111.662 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.448 HG22 HD11 ' A' ' 84' ' ' LEU . 2.5 m -86.75 -43.32 12.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.57 -0.286 . . . . 0.53 111.078 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 77' ' ' PHE . 36.3 mt -59.81 -42.61 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 120.816 0.341 . . . . 0.55 110.732 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.457 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -62.13 -38.88 90.64 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.53 111.498 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.14 -46.98 66.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.842 -0.617 . . . . 1.4 111.409 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.949 HD13 HG23 ' A' ' 18' ' ' THR . 4.9 mt -69.89 -30.43 67.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.36 . . . . 0.48 111.532 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.585 ' HA ' HD13 ' A' ' 53' ' ' LEU . 8.2 t -71.5 -29.69 65.1 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.433 0.635 . . . . 1.37 109.571 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.53 -39.07 32.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.439 -0.8 . . . . 3.07 109.929 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt . . . . . 0 C--O 1.235 0.301 0 CA-C-N 115.861 -0.609 . . . . 2.78 111.509 -179.399 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 121.274 0.559 . . . . 2.24 109.531 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.704 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -55.99 -29.69 60.69 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.253 -0.885 . . . . 0.91 111.008 178.52 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.2 ttp85 -63.16 -38.81 92.64 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.591 -0.522 . . . . 3.67 109.591 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -35.47 80.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.869 -0.605 . . . . 2.93 109.832 178.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.434 HG23 HD13 ' A' ' 84' ' ' LEU . 2.3 m -67.25 -49.16 65.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.468 -0.787 . . . . 0.38 110.224 178.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -67.66 -39.81 84.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.816 -0.629 . . . . 0.61 111.255 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -67.05 -36.87 83.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.47 -0.332 . . . . 2.35 110.69 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.499 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -68.2 -31.3 70.72 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.385 -0.598 . . . . 3.57 109.385 179.162 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.983 ' HB3' HD22 ' A' ' 46' ' ' LEU . 6.9 mt -75.59 -37.47 59.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.225 -0.898 . . . . 0.33 110.086 178.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -69.51 -35.41 75.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.205 0.526 . . . . 3.33 110.367 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -37.89 58.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.796 -0.638 . . . . 2.36 110.062 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.661 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -72.25 -35.4 68.79 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.552 -0.536 . . . . 0.28 109.552 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.538 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 43.4 t -66.52 -40.83 89.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.86 111.215 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 mp -76.54 -30.87 57.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.783 0.325 . . . . 0.6 111.166 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -76.32 -54.44 6.77 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.138 -0.483 . . . . 1.31 110.545 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.406 ' HG ' HD22 ' A' ' 25' ' ' LEU . 24.2 mt -61.35 -40.29 93.71 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 120.866 0.365 . . . . 0.49 110.341 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.3 -29.15 70.6 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.88 -0.676 . . . . 0.65 112.905 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -95.82 -13.09 24.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 117.258 0.529 . . . . 1.94 110.702 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -94.2 -5.88 46.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.519 0.676 . . . . 3.82 110.344 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 17.1 mtp -93.96 154.68 17.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.395 -0.821 . . . . 1.84 109.999 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 47.8 t -121.57 115.86 30.85 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.643 -0.502 . . . . 1.87 109.643 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 6.5 Cg_endo -85.93 156.61 56.86 Favored 'Cis proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.446 -1.481 . . . . 1.86 112.084 0.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_exo -46.74 117.83 2.32 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.901 2.401 . . . . 1.42 112.28 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 t -71.39 -34.48 53.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.012 -0.995 . . . . 2.02 111.81 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.17 -68.15 3.61 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.676 -0.969 . . . . 1.27 110.676 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -111.55 81.65 1.48 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.479 -0.934 . . . . 2.13 108.479 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.659 ' HZ ' ' HB2' ' A' ' 76' ' ' TYR . 37.3 t80 -56.89 -48.81 77.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.247 -0.888 . . . . 0.52 110.799 -178.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.732 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 2.2 tpp -136.38 122.05 13.45 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.35 -0.611 . . . . 0.28 109.35 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -56.73 144.16 87.65 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.775 2.316 . . . . 0.29 112.191 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -39.32 63.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.824 -0.626 . . . . 1.51 111.89 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.626 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -63.41 -40.65 97.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.385 -0.37 . . . . 0.57 111.263 179.866 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.2 mm -71.71 -36.63 59.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.26 -0.427 . . . . 0.34 110.777 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.983 HD22 ' HB3' ' A' ' 22' ' ' LEU . 76.1 mt -63.36 -40.46 97.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.302 -0.408 . . . . 0.26 110.807 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -64.01 -48.24 77.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.97 111.629 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.626 ' HG2' ' O ' ' A' ' 44' ' ' SER . 12.9 ptpt -71.74 -40.67 69.23 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.797 -0.361 . . . . 0.77 111.837 -179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -29.01 68.51 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.996 -0.282 . . . . 1.07 111.017 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.07 -32.89 26.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.835 0.35 . . . . 0.22 111.155 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.704 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -76.92 -37.18 55.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.184 -0.462 . . . . 0.3 111.485 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.2 mp -94.95 -35.21 5.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.98 -0.554 . . . . 0.37 111.209 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.564 HD13 ' HA ' ' A' ' 85' ' ' SER . 18.6 mt 50.61 72.38 1.25 Allowed Pre-proline 0 N--CA 1.465 0.319 0 O-C-N 123.583 0.552 . . . . 0.41 110.813 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.454 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 11.8 Cg_endo -91.81 106.74 0.25 Allowed 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.575 2.85 . . . . 0.48 113.373 -178.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.44 ' HG2' HG22 ' A' ' 81' ' ' ILE . 34.9 mmm -99.86 30.7 3.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.635 0.255 . . . . 1.66 111.069 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.6 146.2 22.06 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.217 -0.66 . . . . 2.68 109.217 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -54.16 -44.65 71.65 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 113.428 0.899 . . . . 2.68 113.428 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.54 -33.94 75.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.366 0.603 . . . . 1.02 111.32 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.97 -30.34 50.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.002 -0.544 . . . . 0.62 110.906 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.477 ' HD1' ' HA ' ' A' ' 60' ' ' PHE . 0.1 OUTLIER -59.36 -25.14 63.98 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.821 0.343 . . . . 0.46 111.91 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.04 -24.88 64.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.54 . . . . 0.67 112.001 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.6 p -70.02 -13.66 62.33 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.085 0.469 . . . . 1.13 111.491 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.487 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 49.2 mt -80.53 11.2 3.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.154 -0.476 . . . . 0.68 110.537 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.8 38.08 8.24 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 109.795 -1.322 . . . . 1.61 109.795 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.0 p 49.35 78.49 0.09 Allowed 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.743 0.817 . . . . 2.55 111.306 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.527 HG21 ' HE2' ' A' ' 74' ' ' PHE . 10.2 m -59.89 133.05 25.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.792 -0.64 . . . . 0.89 111.005 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.401 ' HB3' ' HG2' ' A' ' 69' ' ' LYS . 2.3 tt0 -68.17 162.43 24.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.274 -0.875 . . . . 2.42 110.342 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.427 ' O ' ' HD2' ' A' ' 72' ' ' ARG . 5.0 t70 -59.69 -36.12 75.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.711 -0.222 . . . . 1.72 111.41 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -59.03 -26.63 64.74 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.856 0.36 . . . . 1.97 110.654 179.391 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.422 ' O ' ' HD3' ' A' ' 73' ' ' ARG . 96.6 m-85 -84.49 -31.42 24.51 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.506 -0.553 . . . . 1.29 109.506 178.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.543 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -67.95 -40.09 83.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.252 -0.885 . . . . 2.55 111.576 179.588 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.427 ' HD2' ' O ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -56.3 -44.65 80.09 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.606 0.595 . . . . 4.38 112.606 -178.275 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.422 ' HD3' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -93.33 -4.32 51.85 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.464 -0.494 . . . . 1.44 109.795 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.543 ' HB2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -58.79 -35.28 72.56 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.807 -0.633 . . . . 0.36 110.979 179.208 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.738 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -59.04 -23.16 61.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.631 -0.713 . . . . 1.72 111.992 -179.574 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.659 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 74.0 m-85 -78.02 -6.93 56.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.885 0.374 . . . . 0.99 110.894 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.732 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.8 OUTLIER -113.43 -17.6 12.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.09 0.471 . . . . 0.27 110.159 179.141 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.738 ' HD3' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -54.65 -29.3 52.05 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.007 0.743 . . . . 1.37 113.007 -178.703 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.46 -34.36 70.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.737 0.303 . . . . 0.56 110.591 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.67 -39.74 15.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.715 -0.221 . . . . 0.53 111.019 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 77' ' ' PHE . 63.4 mt -58.45 -43.09 85.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.257 -0.429 . . . . 0.55 110.082 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.65 88.02 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.779 -0.646 . . . . 0.53 111.849 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -76.63 -46.48 25.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.245 -0.434 . . . . 1.4 111.62 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.434 HD13 HG23 ' A' ' 18' ' ' THR . 21.5 mt -61.92 -30.71 71.08 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 112.271 0.471 . . . . 0.48 112.271 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.564 ' HA ' HD13 ' A' ' 53' ' ' LEU . 2.5 p -74.08 -27.49 60.93 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 120.844 0.354 . . . . 1.37 110.63 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -97.96 7.33 46.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 3.07 110.84 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.464 0.265 0 CA-C-N 116.421 -0.354 . . . . 2.78 111.44 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 p30 . . . . . 0 N--CA 1.46 0.041 0 N-CA-C 112.241 0.46 . . . . 2.24 112.241 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -40.25 93.62 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 121.125 -0.23 . . . . 0.91 111.21 -178.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -39.16 87.03 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.575 -0.528 . . . . 3.67 109.575 178.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -33.4 75.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.904 -0.589 . . . . 2.93 110.108 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.514 HG21 HD21 ' A' ' 53' ' ' LEU . 21.9 m -63.11 -53.29 55.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.514 -0.766 . . . . 0.38 110.074 178.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.436 ' CE1' ' HG3' ' A' ' 47' ' ' LYS . 44.6 t80 -63.14 -41.55 99.32 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.975 0.417 . . . . 0.61 110.543 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -64.41 -39.4 93.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.259 -0.428 . . . . 2.35 111.403 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -69.31 -34.45 74.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.365 . . . . 3.57 110.691 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.651 ' HB3' HD22 ' A' ' 46' ' ' LEU . 6.9 mt -72.02 -34.44 68.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.795 -0.639 . . . . 0.33 109.568 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -72.62 -36.43 68.06 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.802 -0.635 . . . . 3.33 109.985 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.05 -37.71 78.7 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.026 -0.731 . . . . 2.36 109.026 178.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.577 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -69.1 -37.71 78.57 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.385 -0.825 . . . . 0.28 109.151 178.832 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.418 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.4 OUTLIER -64.76 -36.29 83.84 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.495 -0.775 . . . . 0.86 111.377 179.632 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 mp -74.16 -30.49 62.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.185 0.517 . . . . 0.6 110.215 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -77.7 -59.61 2.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.894 -0.594 . . . . 1.31 111.345 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.413 ' HG ' HD22 ' A' ' 25' ' ' LEU . 53.1 mt -62.54 -33.53 75.1 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.01 0.433 . . . . 0.49 111.066 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.99 -44.38 97.48 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.885 -0.674 . . . . 0.65 113.857 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -83.33 -13.37 55.19 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.224 0.535 . . . . 1.94 110.99 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -90.28 -6.15 55.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.302 0.572 . . . . 3.82 110.743 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.3 ttm -96.76 152.49 18.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.47 -0.786 . . . . 1.84 109.208 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 t -132.1 120.68 17.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.351 -0.24 . . . . 1.87 110.351 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -69.3 147.2 83.2 Favored 'Cis proline' 0 C--O 1.234 0.312 0 C-N-CA 123.8 -1.333 . . . . 1.86 111.451 -0.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.82 130.12 38.67 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.33 2.02 . . . . 1.42 112.787 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 37' ' ' VAL . 0.9 OUTLIER -75.74 -21.14 15.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.413 -0.812 . . . . 2.02 110.446 -179.605 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.1 -74.26 1.66 Allowed Glycine 0 CA--C 1.508 -0.372 0 N-CA-C 109.452 -1.459 . . . . 1.27 109.452 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -111.87 75.2 0.9 Allowed 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.048 -1.093 . . . . 2.13 108.048 176.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.546 ' HZ ' ' HB2' ' A' ' 76' ' ' TYR . 13.4 t80 -22.38 -72.49 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 O-C-N 124.682 1.239 . . . . 0.52 111.459 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.883 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 8.3 tpp -108.89 133.65 20.62 Favored Pre-proline 0 N--CA 1.443 -0.8 0 N-CA-C 109.183 -0.673 . . . . 0.28 109.183 177.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.72 146.45 92.19 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.193 1.929 . . . . 0.29 112.175 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.33 -39.28 56.63 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.939 -0.573 . . . . 1.51 111.699 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.52 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -63.51 -47.0 83.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.799 -0.637 . . . . 0.57 111.356 -179.679 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.532 ' O ' ' HB3' ' A' ' 49' ' ' MET . 1.4 mm -67.24 -38.75 81.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.344 -0.389 . . . . 0.34 111.143 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.834 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 60.8 mt -60.87 -37.49 82.31 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.784 0.326 . . . . 0.26 111.087 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.436 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 12.7 mtmt -69.26 -46.33 67.52 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.464 0.542 . . . . 0.97 112.464 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 44' ' ' SER . 7.9 ptpt -69.5 -40.17 77.16 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.094 0.474 . . . . 0.77 110.634 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.834 ' SD ' ' HA ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -65.69 -31.69 72.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.786 -0.643 . . . . 1.07 110.704 179.857 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.421 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -80.5 -33.24 36.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.641 0.258 . . . . 0.22 111.362 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.0 -43.59 29.08 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.067 -0.253 . . . . 0.3 111.493 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 mp -84.57 -34.58 9.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.441 -0.345 . . . . 0.37 110.498 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.726 HD13 ' HA ' ' A' ' 85' ' ' SER . 15.5 mt 52.89 72.09 1.26 Allowed Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.75 -0.659 . . . . 0.41 111.429 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.81 106.76 2.19 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 123.081 2.521 . . . . 0.48 112.31 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.6 mtp -82.76 -29.14 29.9 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.664 -0.698 . . . . 1.66 110.851 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -120.76 169.4 10.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.063 -0.517 . . . . 2.68 110.974 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.22 -28.77 68.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.048 -0.524 . . . . 2.68 110.679 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -35.57 77.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.451 0.643 . . . . 1.02 109.44 178.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.78 -26.46 62.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.518 -0.764 . . . . 0.62 110.656 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.666 ' HE2' ' HE3' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -64.17 -25.01 67.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.677 -0.692 . . . . 0.46 111.278 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.86 -25.86 68.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.434 -0.348 . . . . 0.67 111.516 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.99 0.47 31.48 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.751 -0.38 . . . . 1.13 111.698 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' A' ' 49' ' ' MET . 5.7 mt -83.3 -18.86 37.56 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.475 0.655 . . . . 0.68 109.299 178.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.08 -102.42 0.93 Allowed Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 115.283 -0.872 . . . . 1.61 111.035 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.5 106.53 4.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.651 0.225 . . . . 2.55 111.3 179.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.494 HG11 ' HE2' ' A' ' 74' ' ' PHE . 16.7 m -109.95 122.46 64.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.729 -0.471 . . . . 0.89 109.729 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -68.28 168.18 12.92 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.168 -0.469 . . . . 2.42 110.838 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -54.5 -38.43 66.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.751 -0.659 . . . . 1.72 111.104 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.69 -27.7 69.39 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.895 0.379 . . . . 1.97 111.013 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.488 ' O ' ' HD2' ' A' ' 73' ' ' ARG . 73.9 m-85 -81.36 -37.6 27.98 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.231 -0.44 . . . . 1.29 110.216 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.449 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 14.2 mtt85 -69.5 -34.94 75.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.266 0.555 . . . . 2.55 109.842 178.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -34.25 77.55 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.466 -0.788 . . . . 4.38 111.718 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.488 ' HD2' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -99.07 -4.13 33.1 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.681 0.753 . . . . 1.44 110.109 179.413 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.648 ' HE1' ' HE3' ' A' ' 49' ' ' MET . 0.1 OUTLIER -68.28 -34.9 77.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.366 -0.833 . . . . 0.36 110.648 179.094 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.499 ' HA ' ' HG3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -59.5 -26.06 64.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.951 -0.568 . . . . 1.72 111.313 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.546 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 28.5 m-85 -76.81 -7.79 56.11 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.304 0.573 . . . . 0.99 110.241 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.883 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.3 OUTLIER -111.79 -18.48 12.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.306 -0.861 . . . . 0.27 111.059 179.32 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.666 ' HE3' ' HE2' ' A' ' 60' ' ' PHE . 2.7 mttp -57.59 -32.2 66.94 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.323 0.86 . . . . 1.37 113.323 -177.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.3 -31.11 65.41 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.783 -0.367 . . . . 0.56 111.665 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 m -90.48 -40.0 12.27 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.906 -0.588 . . . . 0.53 111.362 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 77' ' ' PHE . 50.0 mt -59.41 -43.62 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.777 0.323 . . . . 0.55 110.365 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.98 -34.2 77.56 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.223 -0.444 . . . . 0.53 111.458 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -70.53 -40.63 73.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.348 -0.387 . . . . 1.4 110.486 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.496 HD13 HG23 ' A' ' 18' ' ' THR . 13.2 mt -70.27 -31.43 68.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.403 0.52 . . . . 0.48 112.403 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.726 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -73.16 -35.09 66.38 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.796 0.332 . . . . 1.37 111.34 -179.104 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -71.55 -38.32 71.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.338 -0.392 . . . . 3.07 110.063 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.08 -0.509 . . . . 2.78 110.699 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 N--CA 1.462 0.171 0 CA-C-O 120.397 0.142 . . . . 2.24 110.967 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -57.98 -31.18 66.67 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.182 0.515 . . . . 0.91 110.331 179.806 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' HE ' ' CD ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -66.3 -38.74 88.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.617 -0.719 . . . . 3.67 110.177 179.195 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.42 -36.0 80.39 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.064 -0.516 . . . . 2.93 109.826 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.592 HG23 HD13 ' A' ' 84' ' ' LEU . 4.3 m -60.46 -51.95 67.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.732 -0.667 . . . . 0.38 110.94 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -62.24 -42.03 98.96 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.961 -0.563 . . . . 0.61 110.464 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' CD ' ' HE ' ' A' ' 16' ' ' ARG . 9.7 mt-10 -62.46 -46.81 86.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 2.35 110.289 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.516 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -61.19 -35.19 76.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.7 -0.682 . . . . 3.57 111.258 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.771 ' HB3' HD22 ' A' ' 46' ' ' LEU . 3.3 mt -73.01 -36.94 67.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.557 -0.292 . . . . 0.33 111.038 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -71.63 -38.99 70.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.072 0.463 . . . . 3.33 110.053 179.404 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.86 -34.02 73.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.908 -0.587 . . . . 2.36 110.096 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.693 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -75.8 -32.26 59.79 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.336 -0.616 . . . . 0.28 109.336 179.103 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.756 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -64.4 -36.68 84.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.432 0.634 . . . . 0.86 109.649 179.138 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mp -77.7 -29.9 51.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.831 -0.622 . . . . 0.6 110.809 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -76.84 -60.27 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 1.31 111.124 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.517 ' CD1' HD13 ' A' ' 25' ' ' LEU . 53.5 mt -59.81 -35.11 74.03 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 120.589 0.233 . . . . 0.49 111.097 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.25 -34.52 84.87 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.878 -0.677 . . . . 0.65 112.84 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -95.68 -16.46 21.99 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.268 0.556 . . . . 1.94 110.005 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.35 -8.21 59.45 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.821 -0.627 . . . . 3.82 109.499 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.41 144.29 26.47 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.991 -1.004 . . . . 1.84 109.393 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.3 t -131.31 110.87 15.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.034 -0.728 . . . . 1.87 109.034 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 5.9 Cg_exo -73.89 152.24 98.01 Favored 'Cis proline' 0 C--N 1.344 0.339 0 C-N-CA 123.146 -1.606 . . . . 1.86 112.7 0.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' PRO . 53.6 Cg_exo -55.58 144.54 74.06 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.202 2.602 . . . . 1.42 112.685 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.0 t -85.98 -31.06 6.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.557 -0.747 . . . . 2.02 111.028 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.12 -79.38 1.72 Allowed Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 110.011 -1.236 . . . . 1.27 110.011 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -102.04 87.1 3.01 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.925 -1.139 . . . . 2.13 107.925 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.756 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 5.0 t80 -57.78 -86.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.48 -0.782 . . . . 0.52 110.944 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.741 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 23.0 tpp -111.14 135.5 20.9 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 109.884 -0.413 . . . . 0.28 109.884 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.584 ' HG2' ' HE2' ' A' ' 70' ' ' TYR . 19.1 Cg_exo -65.75 147.92 86.18 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.603 2.202 . . . . 0.29 111.525 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.464 ' HA ' HD12 ' A' ' 46' ' ' LEU . 31.1 t70 -52.93 -38.27 61.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.649 -0.705 . . . . 1.51 111.417 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -55.18 37.38 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.666 -0.697 . . . . 0.57 111.316 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.407 ' HA ' ' HG3' ' A' ' 48' ' ' LYS . 8.9 mm -63.26 -38.47 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.535 -0.302 . . . . 0.34 111.183 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.835 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 89.0 mt -56.61 -35.93 68.85 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.26 110.874 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -75.31 -44.19 46.8 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.893 0.701 . . . . 0.97 112.893 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HB2' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -70.56 -40.79 73.15 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 119.888 -0.725 . . . . 0.77 110.049 179.698 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.835 ' SD ' ' HA ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -65.84 -29.51 69.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.641 -0.709 . . . . 1.07 110.643 179.37 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.24 -29.34 60.2 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.965 0.412 . . . . 0.22 110.914 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.55 ' HA ' HD21 ' A' ' 15' ' ' LEU . . . -86.33 -44.91 11.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.291 -0.413 . . . . 0.3 111.91 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -80.82 -36.33 15.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.695 0.284 . . . . 0.37 111.101 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.583 HD13 ' HA ' ' A' ' 85' ' ' SER . 12.4 mt 55.64 68.93 2.13 Favored Pre-proline 0 C--O 1.236 0.347 0 CA-C-O 121.309 0.576 . . . . 0.41 110.083 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -80.38 113.19 2.86 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 123.395 2.73 . . . . 0.48 113.326 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.51 ' HG2' ' HA ' ' A' ' 82' ' ' ALA . 40.8 mtp -92.68 -23.32 19.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.096 -0.502 . . . . 1.66 111.075 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -119.13 164.12 16.03 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.246 -0.433 . . . . 2.68 110.891 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.97 -33.12 73.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.475 -0.33 . . . . 2.68 111.672 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -38.16 89.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.238 0.542 . . . . 1.02 110.508 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.82 -26.83 63.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.375 -0.829 . . . . 0.62 109.967 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.427 ' HD1' ' HA ' ' A' ' 60' ' ' PHE . 1.2 m-30 -67.57 -23.81 65.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.741 -0.663 . . . . 0.46 110.653 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.73 -27.03 68.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.449 -0.341 . . . . 0.67 110.955 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.26 -4.15 54.64 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.384 -0.371 . . . . 1.13 111.821 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.428 HD22 ' HB2' ' A' ' 48' ' ' LYS . 1.4 mt -79.02 -11.76 60.01 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.725 0.774 . . . . 0.68 108.988 177.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.42 -99.39 0.79 Allowed Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 110.326 -1.11 . . . . 1.61 110.326 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -153.72 75.58 1.04 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.055 -0.35 . . . . 2.55 110.055 178.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.463 HG11 ' HE2' ' A' ' 74' ' ' PHE . 13.6 m -69.8 138.18 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.629 -0.428 . . . . 0.89 110.331 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.496 ' HB2' ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -70.24 159.92 33.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.226 -0.443 . . . . 2.42 110.095 179.812 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.32 -32.4 71.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.97 -0.559 . . . . 1.72 110.621 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -28.77 67.15 Favored 'General case' 0 C--O 1.23 0.077 0 N-CA-C 109.679 -0.489 . . . . 1.97 109.679 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.584 ' HE2' ' HG2' ' A' ' 42' ' ' PRO . 3.2 m-85 -75.12 -33.37 61.56 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 109.008 -0.738 . . . . 1.29 109.008 177.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 -64.07 -31.75 73.05 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.401 -0.818 . . . . 2.55 110.92 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.721 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -63.22 -65.94 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.109 -0.496 . . . . 4.38 111.589 -179.838 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.679 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -69.26 -4.06 16.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.18 0.514 . . . . 1.44 110.645 179.809 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.463 ' HE2' HG11 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -68.31 -38.86 82.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.782 -0.645 . . . . 0.36 110.98 178.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.721 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 6.1 pttt -63.89 -24.81 67.88 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.941 -0.572 . . . . 1.72 111.372 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.679 ' CD2' ' HA ' ' A' ' 73' ' ' ARG . 12.0 m-85 -77.92 -10.63 59.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.016 0.436 . . . . 0.99 110.198 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.741 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.1 OUTLIER -101.46 -17.45 16.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.4 -0.818 . . . . 0.27 110.375 179.456 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -29.61 67.55 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.582 -0.736 . . . . 1.37 112.238 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.2 77.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.117 0.484 . . . . 0.56 110.712 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.97 -43.12 11.98 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.066 -0.516 . . . . 0.53 111.845 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 77' ' ' PHE . 56.5 mt -59.3 -39.02 77.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.092 -0.504 . . . . 0.55 110.683 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.51 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -65.66 -44.22 87.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.525 -0.307 . . . . 0.53 111.206 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.46 -44.99 89.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.092 0.472 . . . . 1.4 110.523 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.592 HD13 HG23 ' A' ' 18' ' ' THR . 5.7 mt -68.51 -33.32 73.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.128 -0.487 . . . . 0.48 111.356 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.583 ' HA ' HD13 ' A' ' 53' ' ' LEU . 3.3 t -73.24 -25.61 60.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.419 0.628 . . . . 1.37 109.983 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -77.34 -54.73 6.1 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.487 -0.778 . . . . 3.07 110.573 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.494 0 N-CA-C 113.539 0.94 . . . . 2.78 113.539 -178.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.173 0 N-CA-C 108.697 -0.853 . . . . 2.24 108.697 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.878 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -56.41 -26.77 54.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.431 -1.258 . . . . 0.91 110.592 178.704 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.4 -39.29 79.3 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.699 -0.682 . . . . 3.67 110.36 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -35.61 70.98 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.317 -0.401 . . . . 2.93 110.23 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.72 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.5 m -60.83 -52.12 66.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.819 -0.628 . . . . 0.38 109.843 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -64.44 -38.77 92.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.032 -0.986 . . . . 0.61 110.662 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -66.5 -44.92 81.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.545 -0.298 . . . . 2.35 111.369 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -32.73 74.2 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.974 0.416 . . . . 3.57 110.189 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.721 ' HB3' HD22 ' A' ' 46' ' ' LEU . 5.3 mt -72.03 -36.41 69.65 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.657 -0.497 . . . . 0.33 109.657 178.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -69.71 -37.48 76.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.412 -0.588 . . . . 3.33 109.412 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -70.66 -37.34 73.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.305 -0.861 . . . . 2.36 110.42 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.556 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -75.89 -37.03 59.26 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.212 -0.662 . . . . 0.28 109.212 -179.786 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.625 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -63.97 -32.21 73.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.523 -0.762 . . . . 0.86 110.349 179.209 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.38 -33.02 49.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.006 -0.543 . . . . 0.6 110.195 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -73.78 -60.2 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.772 -0.649 . . . . 1.31 111.447 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.546 HD11 HD13 ' A' ' 25' ' ' LEU . 9.0 mt -61.61 -36.48 80.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.779 0.323 . . . . 0.49 110.808 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.91 -27.98 72.87 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.777 -0.725 . . . . 0.65 113.214 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.99 -14.06 19.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.213 0.53 . . . . 1.94 110.37 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -90.18 -4.98 56.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.16 0.505 . . . . 3.82 110.85 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.9 ttp -93.48 160.4 14.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.0 -0.545 . . . . 1.84 110.556 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 60.4 t -127.84 112.86 20.49 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.474 -0.33 . . . . 1.87 110.642 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 71.9 Cg_endo -80.13 160.88 85.68 Favored 'Cis proline' 0 C--O 1.237 0.453 0 C-N-CA 122.945 -1.69 . . . . 1.86 111.722 -0.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -52.54 126.61 21.39 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.329 2.02 . . . . 1.42 111.726 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.422 HG23 ' H ' ' A' ' 37' ' ' VAL . 2.4 t -69.07 -43.81 81.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.334 -0.848 . . . . 2.02 111.12 -179.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.3 -67.74 3.57 Favored Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 110.677 -0.969 . . . . 1.27 110.677 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -102.87 60.34 0.79 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.155 0.502 . . . . 2.13 109.738 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.625 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 9.4 t80 -38.5 -79.96 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.86 -1.063 . . . . 0.52 111.607 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.629 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -108.35 126.62 29.19 Favored Pre-proline 0 N--CA 1.442 -0.834 0 N-CA-C 108.802 -0.814 . . . . 0.28 108.802 178.51 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.434 ' HG2' ' HE1' ' A' ' 70' ' ' TYR . 37.5 Cg_exo -58.48 144.68 96.58 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.719 2.279 . . . . 0.29 112.539 -179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.41 -38.84 60.01 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.788 -0.642 . . . . 1.51 111.184 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.538 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -62.3 -43.21 99.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.57 111.111 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.554 ' O ' ' HB3' ' A' ' 49' ' ' MET . 16.2 mm -72.06 -37.18 59.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.34 110.978 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.721 HD22 ' HB3' ' A' ' 22' ' ' LEU . 45.8 mt -64.16 -37.17 86.51 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.028 0.442 . . . . 0.26 110.707 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -67.44 -50.63 58.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.025 -0.534 . . . . 0.97 112.027 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -69.69 -39.87 76.67 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.612 -0.435 . . . . 0.77 111.621 -179.117 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.554 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -65.48 -31.13 72.04 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.662 -0.245 . . . . 1.07 110.86 -179.348 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.98 -30.4 55.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.989 0.423 . . . . 0.22 110.734 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.878 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -79.93 -40.62 27.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.882 -0.599 . . . . 0.3 112.093 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.433 HG12 ' HB ' ' A' ' 62' ' ' THR . 1.1 mp -87.49 -35.78 8.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.547 -0.297 . . . . 0.37 111.38 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.631 HD13 ' HA ' ' A' ' 85' ' ' SER . 10.5 mt 52.7 69.26 2.46 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 115.81 -0.632 . . . . 0.41 111.328 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.56 110.67 2.68 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.741 2.961 . . . . 0.48 112.371 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 22.1 mtp -77.2 -18.37 57.79 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.393 0.516 . . . . 1.66 112.393 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -142.08 172.76 12.24 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.752 -0.379 . . . . 2.68 111.294 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.453 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 1.1 t70 -58.97 -39.36 81.49 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.914 -0.585 . . . . 2.68 111.98 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -39.38 90.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.038 0.447 . . . . 1.02 110.47 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.23 -25.89 66.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.808 -0.633 . . . . 0.62 110.337 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.453 ' HD2' ' HA ' ' A' ' 57' ' ' ASP . 3.8 m-85 -64.97 -21.97 66.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.589 -0.732 . . . . 0.46 111.469 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.75 -27.0 48.51 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.608 0.596 . . . . 0.67 112.608 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.433 ' HB ' HG12 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -77.14 -0.72 25.96 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.202 0.445 . . . . 1.13 112.202 179.816 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.0 mt -87.4 9.39 20.83 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.86 -0.792 . . . . 0.68 108.86 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.58 -78.71 1.89 Allowed Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 110.974 -0.85 . . . . 1.61 110.974 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.89 111.92 1.0 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.654 0.264 . . . . 2.55 110.712 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.2 m -107.71 114.85 47.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.121 0.486 . . . . 0.89 110.014 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.528 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 12.1 mt-10 -59.16 161.41 5.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.803 -0.635 . . . . 2.42 111.47 -178.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -36.5 70.12 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.049 0.452 . . . . 1.72 109.849 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.475 ' HA ' ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -61.97 -26.01 67.96 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.929 -0.578 . . . . 1.97 110.85 179.074 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.528 ' CD2' ' HB2' ' A' ' 67' ' ' GLU . 57.1 m-85 -87.12 -33.4 19.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.372 -0.376 . . . . 1.29 110.992 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.494 ' O ' ' HB2' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -63.93 -34.16 77.35 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-N 116.236 -0.438 . . . . 2.55 111.24 -179.697 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.565 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 6.8 mtt180 -59.55 -40.75 88.25 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 120.748 -0.381 . . . . 4.38 110.833 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.57 ' HA ' ' HD2' ' A' ' 76' ' ' TYR . 3.9 mpt_? -80.73 -7.18 59.28 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 120.367 -0.533 . . . . 1.44 110.484 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.494 ' HB2' ' O ' ' A' ' 71' ' ' ARG . 0.3 OUTLIER -76.52 -34.35 58.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.519 -0.764 . . . . 0.36 110.459 179.494 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 13.4 pttt -63.77 -22.84 67.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 1.72 110.228 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.57 ' HD2' ' HA ' ' A' ' 73' ' ' ARG . 44.1 m-85 -87.54 -7.15 57.91 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.286 -0.415 . . . . 0.99 110.774 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.629 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 3.0 m-85 -113.89 -16.05 12.27 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.378 0.51 . . . . 0.27 112.378 -178.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.445 ' HA ' HD12 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -51.24 -35.36 36.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.161 0.8 . . . . 1.37 113.161 -177.399 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.6 -35.67 77.66 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.455 0.645 . . . . 0.56 110.486 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.55 -43.71 30.98 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.603 -0.726 . . . . 0.53 111.26 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 77' ' ' PHE . 12.3 mt -60.65 -37.97 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 116.058 -0.519 . . . . 0.55 110.16 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.83 -42.58 85.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.009 -0.542 . . . . 0.53 111.008 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.1 -51.45 63.92 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.736 -0.665 . . . . 1.4 110.842 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.72 HD22 ' HA ' ' A' ' 18' ' ' THR . 9.6 mt -65.64 -28.33 69.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.724 0.268 . . . . 0.48 111.724 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.631 ' HA ' HD13 ' A' ' 53' ' ' LEU . 2.7 t -73.18 -31.14 64.03 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.521 -0.548 . . . . 1.37 109.521 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.61 -30.03 62.73 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 108.731 -0.84 . . . . 3.07 108.731 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.489 ' HG3' ' HA ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.389 0 CA-C-N 115.652 -0.704 . . . . 2.78 109.604 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.765 0.317 . . . . 2.24 110.376 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -33.53 69.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.204 0.526 . . . . 0.91 110.08 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.53 ' NH1' ' HB2' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -63.9 -37.92 89.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.298 -0.865 . . . . 3.67 110.451 179.331 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -43.59 96.35 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 120.958 0.409 . . . . 2.93 110.147 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.711 HG23 HD13 ' A' ' 84' ' ' LEU . 13.2 m -62.99 -50.15 71.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.545 -0.752 . . . . 0.38 110.791 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -59.56 -35.84 75.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.401 -0.818 . . . . 0.61 111.444 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.53 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 17.6 tp10 -66.48 -50.56 62.9 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.259 -0.428 . . . . 2.35 111.411 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -61.95 -32.27 72.68 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.818 0.342 . . . . 3.57 110.767 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.58 ' HB3' HD22 ' A' ' 46' ' ' LEU . 5.8 mt -73.14 -38.09 66.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.837 -0.619 . . . . 0.33 110.524 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -69.34 -40.76 77.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.343 -0.389 . . . . 3.33 110.341 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.01 -36.8 80.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.285 0.564 . . . . 2.36 110.059 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.541 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -72.57 -35.01 67.86 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.996 -0.547 . . . . 0.28 109.651 179.551 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.704 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -66.11 -33.19 75.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.684 -0.689 . . . . 0.86 110.424 179.695 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 mp -81.66 -32.2 31.92 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.603 -0.517 . . . . 0.6 109.603 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.76 -61.27 2.05 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.697 -0.683 . . . . 1.31 110.945 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.1 mt -68.49 -32.97 73.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.49 109.957 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.462 ' HA2' HG23 ' A' ' 37' ' ' VAL . . . -63.24 -44.52 96.91 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.579 -0.737 . . . . 0.65 113.447 -179.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -82.69 -12.5 57.54 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 117.677 0.738 . . . . 1.94 111.412 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 32' ' ' ARG . 3.0 ttm105 -91.05 -3.9 56.8 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.213 0.53 . . . . 3.82 110.065 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.4 ttm -92.23 156.11 17.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.912 -0.585 . . . . 1.84 109.881 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.7 t -131.72 113.93 15.35 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.616 -0.265 . . . . 1.87 110.471 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.06 150.61 95.96 Favored 'Cis proline' 0 C--O 1.238 0.51 0 C-N-CA 123.401 -1.499 . . . . 1.86 112.398 0.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.61 137.25 80.38 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.674 2.25 . . . . 1.42 112.373 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.462 HG23 ' HA2' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -91.61 118.13 36.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.51 -0.768 . . . . 2.02 110.751 -179.574 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.59 -21.24 79.66 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.404 -0.903 . . . . 1.27 111.205 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -140.54 75.59 1.51 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.558 -0.534 . . . . 2.13 109.558 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.704 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 34.2 t80 -48.59 -56.66 7.79 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 108.842 -0.799 . . . . 0.52 108.842 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.677 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 5.0 tpp -130.23 125.37 21.79 Favored Pre-proline 0 N--CA 1.445 -0.721 0 N-CA-C 107.498 -1.297 . . . . 0.28 107.498 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.47 ' HG2' ' HE1' ' A' ' 70' ' ' TYR . 37.2 Cg_exo -61.13 140.29 88.54 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.0 1.8 . . . . 0.29 112.289 -178.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.577 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.1 p-10 -50.35 -38.43 42.13 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.386 -0.37 . . . . 1.51 111.925 -179.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -60.83 -41.35 95.58 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.167 0.508 . . . . 0.57 110.92 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.442 ' O ' ' HB3' ' A' ' 49' ' ' MET . 6.0 mm -77.17 -37.36 25.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.909 -0.587 . . . . 0.34 110.274 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.868 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 47.9 mt -59.75 -35.15 73.99 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.877 0.37 . . . . 0.26 110.167 179.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 3.4 mttt -73.91 -44.84 53.85 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.071 -0.513 . . . . 0.97 112.294 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 44' ' ' SER . 4.9 ptpt -70.57 -39.19 74.04 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 119.515 -0.874 . . . . 0.77 110.507 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.868 ' SD ' ' HA ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -66.58 -31.93 72.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.307 -0.406 . . . . 1.07 110.437 179.197 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.433 ' N ' ' HG2' ' A' ' 49' ' ' MET . . . -76.83 -30.88 56.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.22 111.726 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.67 -40.73 33.16 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.075 0.398 . . . . 0.3 112.075 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -89.51 -42.19 14.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.616 -0.266 . . . . 0.37 111.484 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 53' ' ' LEU . 14.9 mt 54.94 75.4 0.61 Allowed Pre-proline 0 C--N 1.328 -0.345 0 O-C-N 123.797 0.686 . . . . 0.41 109.85 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.461 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 1.8 Cg_endo -79.01 112.98 3.17 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.752 2.301 . . . . 0.48 112.537 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.524 ' SD ' ' HB3' ' A' ' 85' ' ' SER . 72.0 mtp -91.8 12.28 21.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.988 -0.551 . . . . 1.66 110.679 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -143.12 149.57 38.29 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.806 -0.634 . . . . 2.68 110.413 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -34.67 78.87 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.535 0.522 . . . . 2.68 110.915 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.28 -37.44 77.85 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.786 -0.82 . . . . 1.02 108.786 178.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.93 -30.09 71.06 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 115.124 -0.944 . . . . 0.62 110.7 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.461 ' CD1' ' HG2' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -57.48 -25.22 59.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.779 -0.646 . . . . 0.46 111.257 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.84 -22.53 64.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.67 111.654 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.5 p -66.23 -16.63 64.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.761 0.315 . . . . 1.13 111.752 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.3 mt -84.04 -5.8 59.3 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.007 0.432 . . . . 0.68 109.906 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.24 -152.75 17.49 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.305 -1.118 . . . . 1.61 110.305 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.55 69.54 1.24 Allowed 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 117.21 0.505 . . . . 2.55 110.055 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.4 m -55.45 136.11 18.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.019 -0.537 . . . . 0.89 110.945 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.676 ' H ' ' HD2' ' A' ' 70' ' ' TYR . 4.2 mt-10 -77.38 163.96 25.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.592 -0.731 . . . . 2.42 110.19 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -58.17 -32.82 68.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.052 0.453 . . . . 1.72 110.12 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' A' ' 72' ' ' ARG . 2.9 pttt -61.05 -27.29 68.23 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.793 -0.64 . . . . 1.97 110.666 178.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.676 ' HD2' ' H ' ' A' ' 67' ' ' GLU . 75.9 m-85 -87.36 -33.95 18.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.051 0.453 . . . . 1.29 109.802 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.521 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 5.9 mmm180 -63.5 -33.36 75.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.194 -0.912 . . . . 2.55 111.248 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.684 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 50.9 mtp180 -54.27 -55.24 30.19 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-O 121.079 0.466 . . . . 4.38 110.793 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.599 ' HA ' ' HD2' ' A' ' 76' ' ' TYR . 4.3 mpt_? -75.2 -8.61 57.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.731 -0.668 . . . . 1.44 110.932 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.521 ' HB2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -72.76 -37.7 67.56 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.688 -0.687 . . . . 0.36 110.433 179.02 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.684 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 7.0 pttt -67.74 -22.09 65.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.173 -0.467 . . . . 1.72 110.521 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.599 ' HD2' ' HA ' ' A' ' 73' ' ' ARG . 20.5 m-85 -89.73 -4.56 57.64 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.93 0.395 . . . . 0.99 110.7 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.677 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 1.3 m-85 -112.59 -13.81 13.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.861 -0.609 . . . . 0.27 112.145 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.12 -29.29 44.43 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 114.087 1.143 . . . . 1.37 114.087 -177.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.81 -34.85 51.91 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.764 -0.585 . . . . 0.56 111.146 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.81 -48.94 13.81 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.79 -0.641 . . . . 0.53 110.754 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 97.9 mt -57.15 -38.68 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.327 -0.397 . . . . 0.55 110.875 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -70.18 -46.91 63.65 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.01 0.433 . . . . 0.53 110.408 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.989 ' HA ' ' HD3' ' A' ' 86' ' ' LYS . 27.8 t0 -61.21 -42.59 98.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.882 -0.599 . . . . 1.4 111.643 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.711 HD13 HG23 ' A' ' 18' ' ' THR . 18.3 mt -59.81 -29.59 68.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.55 -0.296 . . . . 0.48 111.399 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.524 ' HB3' ' SD ' ' A' ' 55' ' ' MET . 3.5 t -78.84 -29.05 44.41 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.84 -0.43 . . . . 1.37 109.84 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.989 ' HD3' ' HA ' ' A' ' 83' ' ' ASP . 1.1 mtpm? -69.82 -42.85 73.09 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.366 -0.605 . . . . 3.07 109.366 178.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.213 0 CA-C-N 115.755 -0.657 . . . . 2.78 109.953 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.234 0 N-CA-C 110.53 -0.174 . . . . 2.24 110.53 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.531 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -61.34 -31.27 71.14 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.236 0.541 . . . . 0.91 109.963 178.784 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 16' ' ' ARG . 29.2 ttp180 -65.35 -38.56 90.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.77 -0.65 . . . . 3.67 109.499 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 ttt -68.38 -35.5 77.8 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 121.445 0.641 . . . . 2.93 109.512 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.584 HG23 HD13 ' A' ' 84' ' ' LEU . 31.1 m -63.67 -47.65 80.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.481 -0.781 . . . . 0.38 109.771 178.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -65.48 -43.98 88.53 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.674 -0.694 . . . . 0.61 110.899 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.75 -39.1 93.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.406 -0.361 . . . . 2.35 111.119 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.527 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -65.23 -31.06 72.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.208 0.528 . . . . 3.57 109.712 178.789 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.934 ' HB3' HD22 ' A' ' 46' ' ' LEU . 4.8 mt -74.87 -36.73 62.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.46 -0.791 . . . . 0.33 110.496 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 23' ' ' ARG . 3.5 ttt180 -73.75 -39.92 63.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.075 0.464 . . . . 3.33 109.885 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -67.04 -35.15 79.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.169 -0.469 . . . . 2.36 109.82 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.552 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -75.55 -33.53 60.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.576 -0.738 . . . . 0.28 109.238 178.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.64 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -68.84 -39.05 80.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.877 -0.601 . . . . 0.86 110.627 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mp -76.67 -30.79 56.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.167 0.508 . . . . 0.6 110.234 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -74.85 -57.42 3.92 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.89 -0.596 . . . . 1.31 110.905 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.614 HD13 ' HB3' ' A' ' 76' ' ' TYR . 62.1 mt -61.14 -38.36 86.13 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.49 110.899 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.589 ' O ' ' HA ' ' A' ' 36' ' ' PRO . . . -63.73 -47.4 86.85 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.307 -0.949 . . . . 0.65 111.137 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.527 ' HA ' ' HB3' ' A' ' 36' ' ' PRO . 63.8 t30 -70.54 -11.89 61.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.386 0.612 . . . . 1.94 109.821 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 32' ' ' ARG . 3.1 ttp180 -92.27 -3.41 55.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.257 -0.883 . . . . 3.82 109.9 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.79 165.41 11.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.858 -0.61 . . . . 1.84 110.212 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 43.2 t -131.37 111.73 15.33 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 110.352 -0.24 . . . . 1.87 110.352 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 66.0 Cg_endo -76.96 155.52 97.48 Favored 'Cis proline' 0 C--O 1.237 0.465 0 C-N-CA 123.191 -1.587 . . . . 1.86 111.838 0.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.589 ' HA ' ' O ' ' A' ' 30' ' ' GLY . 14.0 Cg_endo -57.2 129.59 35.02 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.622 2.215 . . . . 1.42 112.673 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.412 ' O ' ' HA3' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -98.49 104.67 16.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.271 -0.877 . . . . 2.02 109.933 -179.872 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.59 -26.31 74.62 Favored Glycine 0 C--O 1.227 -0.317 0 CA-C-N 116.046 -0.524 . . . . 1.27 111.928 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -112.14 49.47 0.91 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.415 0.626 . . . . 2.13 109.566 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.64 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 28.6 t80 -42.3 -51.69 4.74 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.065 -0.97 . . . . 0.52 110.675 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.602 ' HB3' HD21 ' A' ' 46' ' ' LEU . 7.8 tpp -136.23 121.28 13.17 Favored Pre-proline 0 N--CA 1.444 -0.764 0 N-CA-C 107.823 -1.177 . . . . 0.28 107.823 177.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.45 146.1 75.96 Favored 'Trans proline' 0 N--CA 1.471 0.165 0 C-N-CA 123.159 2.573 . . . . 0.29 112.956 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -52.14 -39.87 60.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.948 -0.569 . . . . 1.51 111.194 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.642 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -62.88 -42.37 99.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.305 -0.407 . . . . 0.57 111.153 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.422 ' O ' ' HB3' ' A' ' 49' ' ' MET . 7.1 mm -73.05 -37.07 52.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.34 111.014 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.934 HD22 ' HB3' ' A' ' 22' ' ' LEU . 83.3 mt -61.64 -38.03 86.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.515 -0.311 . . . . 0.26 110.355 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -68.99 -47.75 64.78 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.889 0.7 . . . . 0.97 112.889 -178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.642 ' HG2' ' O ' ' A' ' 44' ' ' SER . 8.1 ptpt -68.12 -41.44 81.72 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.149 0.499 . . . . 0.77 110.872 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.424 ' CE ' ' HE1' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -65.89 -30.01 70.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.847 -0.615 . . . . 1.07 110.593 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.87 -29.31 44.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.974 0.416 . . . . 0.22 111.29 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.531 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -80.39 -45.52 17.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.172 -0.467 . . . . 0.3 112.172 -179.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -81.89 -36.5 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.954 0.407 . . . . 0.37 110.776 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.622 HD13 ' HA ' ' A' ' 85' ' ' SER . 12.2 mt 54.83 68.6 2.5 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.232 -0.894 . . . . 0.41 111.94 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.45 ' HD2' HG21 ' A' ' 81' ' ' ILE . 1.4 Cg_endo -80.75 105.46 1.69 Allowed 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.867 2.378 . . . . 0.48 111.176 179.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.09 -14.43 62.66 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.457 0.91 . . . . 1.66 113.457 -178.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -155.46 -172.76 4.27 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 122.067 -0.396 . . . . 2.68 110.824 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -68.07 -176.34 0.69 Allowed 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.458 -0.571 . . . . 2.68 109.458 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 m 70.45 -49.28 0.65 Allowed 'General case' 0 CA--C 1.534 0.359 0 O-C-N 123.46 0.475 . . . . 1.02 110.999 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.09 -29.61 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.346 -0.613 . . . . 0.62 109.346 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.97 -26.08 14.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.1 -0.955 . . . . 0.46 112.076 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.13 -23.11 65.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.325 -0.398 . . . . 0.67 111.962 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.0 p -72.69 -11.86 60.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.837 0.31 . . . . 1.13 111.837 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.0 mt -75.67 -8.67 57.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.955 0.407 . . . . 0.68 110.085 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.5 -110.63 2.63 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.557 -0.83 . . . . 1.61 111.416 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.97 71.01 1.46 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.842 0.353 . . . . 2.55 111.234 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.436 HG23 ' HD2' ' A' ' 71' ' ' ARG . 27.2 m -72.68 129.21 35.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 120.134 -0.626 . . . . 0.89 109.8 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.95 160.64 23.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.972 -0.558 . . . . 2.42 110.264 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.408 ' O ' ' HD3' ' A' ' 72' ' ' ARG . 30.6 t70 -60.07 -34.37 73.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.733 -0.667 . . . . 1.72 109.473 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -63.61 -28.94 70.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.518 -0.765 . . . . 1.97 109.873 178.482 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.461 ' N ' ' HG2' ' A' ' 69' ' ' LYS . 69.0 m-85 -78.61 -36.77 43.71 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.534 -0.543 . . . . 1.29 109.534 178.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.457 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -62.91 -35.15 79.11 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.627 0.58 . . . . 2.55 109.726 178.399 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.535 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -56.92 -67.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.254 -0.885 . . . . 4.38 112.035 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -3.82 33.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.255 0.55 . . . . 1.44 110.638 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.457 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -61.93 -35.13 77.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.789 -0.641 . . . . 0.36 110.18 179.014 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -55.57 -23.65 28.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.617 -0.72 . . . . 1.72 112.455 -179.646 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.614 ' HB3' HD13 ' A' ' 29' ' ' LEU . 62.5 m-85 -76.93 -8.26 57.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.546 0.212 . . . . 0.99 111.244 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.59 ' CE1' HD23 ' A' ' 22' ' ' LEU . 8.9 m-85 -112.89 -17.21 12.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.275 -0.421 . . . . 0.27 110.882 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -31.25 18.88 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 114.457 1.28 . . . . 1.37 114.457 -177.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.55 -32.92 28.34 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.156 -0.618 . . . . 0.56 110.521 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.65 -45.79 50.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.582 -0.736 . . . . 0.53 111.019 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 77' ' ' PHE . 8.1 mt -60.32 -38.31 77.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.194 0.521 . . . . 0.55 110.08 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.33 -46.81 78.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.909 -0.587 . . . . 0.53 110.477 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -42.52 93.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.867 -0.606 . . . . 1.4 110.529 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.584 HD13 HG23 ' A' ' 18' ' ' THR . 16.3 mt -63.19 -31.36 72.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.48 110.868 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.622 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -72.31 -31.17 65.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.902 -0.59 . . . . 1.37 111.055 -179.717 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -84.79 -24.52 28.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.887 0.375 . . . . 3.07 110.967 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp . . . . . 0 C--N 1.324 -0.502 0 CA-C-O 121.178 0.513 . . . . 2.78 109.85 179.815 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.182 -0.303 . . . . 2.24 110.182 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -38.11 89.4 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.132 0.491 . . . . 0.91 109.947 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -67.98 -39.9 83.19 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.935 -0.575 . . . . 3.67 110.024 178.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.3 tmm? -61.74 -41.28 97.45 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.384 0.611 . . . . 2.93 109.956 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.635 HG23 HD13 ' A' ' 84' ' ' LEU . 7.4 m -63.94 -44.49 92.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.029 -0.987 . . . . 0.38 109.809 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -66.32 -41.58 89.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.61 110.574 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.4 -46.47 88.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 2.35 110.918 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -64.36 -34.9 79.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.501 -0.318 . . . . 3.57 110.718 179.562 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.646 HD23 ' CE1' ' A' ' 77' ' ' PHE . 2.8 mt -72.24 -40.28 67.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.498 -0.319 . . . . 0.33 110.71 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -40.86 89.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.814 0.34 . . . . 3.33 110.832 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.73 -34.53 75.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.935 0.398 . . . . 2.36 110.202 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.668 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -73.35 -34.87 65.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.81 -0.632 . . . . 0.28 110.164 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.674 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 51.0 m -64.67 -36.54 84.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.13 0.49 . . . . 0.86 110.487 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.92 -33.12 63.85 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.936 -0.575 . . . . 0.6 110.898 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -78.2 -53.35 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.944 -0.571 . . . . 1.31 112.04 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.668 ' HG ' HD22 ' A' ' 25' ' ' LEU . 93.8 mt -64.12 -32.94 74.69 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.692 0.282 . . . . 0.49 111.11 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.03 -33.61 79.96 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.947 -0.644 . . . . 0.65 113.075 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -99.76 -11.57 20.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 117.074 0.437 . . . . 1.94 110.339 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.456 HH11 ' HD3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -93.62 -2.67 53.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.909 0.385 . . . . 3.82 110.913 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.6 159.36 15.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.196 -0.457 . . . . 1.84 110.853 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 3.3 t -122.79 108.26 33.05 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.46 -0.336 . . . . 1.87 110.587 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 74.5 Cg_endo -84.97 168.6 51.61 Favored 'Cis proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.975 -1.26 . . . . 1.86 111.662 -0.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -52.04 138.32 53.1 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.918 2.412 . . . . 1.42 112.481 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.4 t -92.82 -30.05 4.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.842 -0.617 . . . . 2.02 111.929 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.77 -77.19 1.49 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.263 -0.97 . . . . 1.27 110.809 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -102.49 73.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.334 -0.617 . . . . 2.13 109.334 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.674 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 8.1 t80 -43.69 -75.47 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 114.853 -1.067 . . . . 0.52 111.939 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.724 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -117.43 132.41 23.57 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.388 -0.597 . . . . 0.28 109.388 179.524 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 41' ' ' MET . 8.2 Cg_exo -71.48 146.91 51.03 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 122.616 2.211 . . . . 0.29 111.533 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.524 ' HA ' HD12 ' A' ' 46' ' ' LEU . 2.2 t70 -48.46 -40.99 28.26 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.776 0.673 . . . . 1.51 111.819 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -48.97 79.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.468 . . . . 0.57 111.444 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 49' ' ' MET . 31.4 mm -69.78 -35.73 66.59 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 CA-C-N 116.282 -0.417 . . . . 0.34 111.105 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 22' ' ' LEU . 20.7 mt -62.56 -37.46 86.23 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.409 -0.36 . . . . 0.26 110.839 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -68.96 -52.02 33.48 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.177 0.436 . . . . 0.97 112.177 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.479 ' HG3' HD22 ' A' ' 63' ' ' LEU . 4.7 ptpt -64.15 -42.26 96.83 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.906 0.384 . . . . 0.77 111.041 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.526 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -65.47 -30.43 71.21 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.142 -0.481 . . . . 1.07 110.836 -179.707 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.14 -30.51 43.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.78 0.324 . . . . 0.22 111.4 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.24 -40.73 23.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.298 -0.41 . . . . 0.3 111.383 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 mp -88.53 -34.82 7.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 CA-C-N 116.574 -0.284 . . . . 0.37 111.465 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 85' ' ' SER . 12.4 mt 53.37 67.99 3.28 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.754 -0.657 . . . . 0.41 110.421 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.447 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 6.1 Cg_exo -79.03 118.48 4.07 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 123.554 2.836 . . . . 0.48 112.389 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.7 mtp -95.78 -20.05 19.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.602 -0.727 . . . . 1.66 111.247 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -123.84 166.68 15.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.197 0.523 . . . . 2.68 111.666 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -56.81 -45.39 82.31 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.208 -0.906 . . . . 2.68 112.695 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.51 -38.53 71.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.681 0.277 . . . . 1.02 111.665 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.447 ' CB ' ' HB3' ' A' ' 54' ' ' PRO . . . -72.38 -28.61 63.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.217 0.532 . . . . 0.62 111.004 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.447 ' HD1' ' HA ' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -67.13 -25.64 66.28 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.679 -0.408 . . . . 0.46 110.747 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.22 -26.93 64.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.67 110.785 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.85 0.23 28.0 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.987 -0.285 . . . . 1.13 111.456 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.479 HD22 ' HG3' ' A' ' 48' ' ' LYS . 35.8 mt -83.82 21.1 1.34 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.775 -0.454 . . . . 0.68 109.775 178.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.86 32.25 37.16 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.551 -1.02 . . . . 1.61 110.551 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 56.67 82.11 0.12 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.408 0.683 . . . . 2.55 111.645 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.515 HG12 HD12 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -65.65 138.02 23.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 115.568 -0.742 . . . . 0.89 110.606 179.463 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.5 146.19 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.938 -0.574 . . . . 2.42 110.242 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -56.34 -35.34 67.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.404 -0.362 . . . . 1.72 111.284 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -66.67 -26.55 67.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.286 -0.416 . . . . 1.97 111.069 179.386 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.406 ' N ' ' HG2' ' A' ' 69' ' ' LYS . 11.3 m-85 -82.9 -33.06 27.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 1.29 110.098 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.537 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 37.5 mtm-85 -68.42 -34.16 75.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.716 -0.674 . . . . 2.55 110.958 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -54.22 49.45 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 112.604 0.594 . . . . 4.38 112.604 -178.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -85.89 -0.54 55.66 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.27 0.557 . . . . 1.44 109.749 -179.743 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.537 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -58.12 -35.05 70.92 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.33 -0.85 . . . . 0.36 110.664 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.789 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -54.21 -24.37 18.18 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.08 0.77 . . . . 1.72 113.08 -178.81 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.606 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 91.7 m-85 -73.9 -10.31 59.52 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.828 -0.349 . . . . 0.99 110.726 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.724 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.4 OUTLIER -105.99 -12.99 15.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.308 -0.405 . . . . 0.27 111.06 179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.789 ' HD3' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -57.96 -32.84 68.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.983 0.364 . . . . 1.37 111.983 -178.447 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.56 -32.43 72.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.414 0.626 . . . . 0.56 110.427 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.03 -46.56 13.77 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.524 -0.762 . . . . 0.53 111.427 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 77' ' ' PHE . 51.1 mt -58.26 -43.03 85.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.239 -0.437 . . . . 0.55 110.573 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.19 -49.92 75.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.53 111.333 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.12 -43.97 93.66 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.901 -0.59 . . . . 1.4 111.516 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.635 HD13 HG23 ' A' ' 18' ' ' THR . 34.3 mt -67.51 -30.5 70.19 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.652 -0.249 . . . . 0.48 111.46 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.535 ' HA ' HD13 ' A' ' 53' ' ' LEU . 1.3 t -79.18 -30.8 43.65 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.914 -0.402 . . . . 1.37 109.914 179.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -73.18 -46.07 52.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.86 -0.609 . . . . 3.07 109.926 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm . . . . . 0 N--CA 1.443 -0.797 0 CA-C-N 116.036 -0.529 . . . . 2.78 111.451 -179.894 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.042 -0.355 . . . . 2.24 110.042 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.81 -36.94 84.8 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.875 -0.417 . . . . 0.91 109.875 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.44 -40.37 67.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.235 0.54 . . . . 3.67 109.743 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 45.5 ttp -60.46 -43.59 96.73 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.391 -0.822 . . . . 2.93 110.178 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.863 HG23 HD13 ' A' ' 84' ' ' LEU . 8.5 m -66.04 -49.42 67.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.365 -0.834 . . . . 0.38 110.241 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -58.48 -44.43 89.35 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.048 -0.524 . . . . 0.61 110.632 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -48.24 82.65 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.007 -0.542 . . . . 2.35 110.681 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.552 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -63.1 -34.13 76.93 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.857 -0.61 . . . . 3.57 110.416 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.863 ' HB3' HD22 ' A' ' 46' ' ' LEU . 5.4 mt -72.75 -36.86 67.81 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.213 -0.449 . . . . 0.33 110.521 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -43.74 68.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.562 -0.29 . . . . 3.33 111.025 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -67.8 -35.18 78.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.399 0.619 . . . . 2.36 110.414 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.552 ' HB2' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -73.22 -43.65 60.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.56 -0.745 . . . . 0.28 109.473 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.587 ' HB2' ' O ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -62.62 -34.13 76.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.108 -0.496 . . . . 0.86 112.164 -179.575 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 mp -78.52 -32.48 48.09 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.981 0.42 . . . . 0.6 110.516 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -71.62 -56.09 6.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.554 -0.748 . . . . 1.31 110.688 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.39 -33.89 76.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.059 -0.519 . . . . 0.49 110.421 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.446 ' HA2' HG23 ' A' ' 37' ' ' VAL . . . -61.51 -46.63 93.93 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.851 -0.613 . . . . 0.65 112.372 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -77.06 -12.99 60.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 1.94 111.051 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -91.75 -6.22 52.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.238 0.542 . . . . 3.82 109.968 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.39 156.68 16.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.46 -0.791 . . . . 1.84 109.712 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.2 t -133.4 119.21 15.19 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.146 -0.316 . . . . 1.87 110.146 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 43.6 Cg_endo -68.74 145.32 76.77 Favored 'Cis proline' 0 C--O 1.235 0.339 0 C-N-CA 123.826 -1.322 . . . . 1.86 112.443 0.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' PRO . 68.9 Cg_exo -53.33 128.33 28.78 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.647 2.231 . . . . 1.42 112.334 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.446 HG23 ' HA2' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -89.84 113.12 25.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.673 -0.694 . . . . 2.02 110.182 -179.749 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.82 -26.18 71.02 Favored Glycine 0 C--N 1.334 0.44 0 N-CA-C 109.55 -1.42 . . . . 1.27 109.55 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -137.07 81.46 1.87 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 114.389 -0.905 . . . . 2.13 109.43 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.439 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 39.6 t80 -50.02 -36.14 27.55 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.018 -0.992 . . . . 0.52 109.711 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.664 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 8.5 tpp -142.14 125.69 9.69 Favored Pre-proline 0 N--CA 1.445 -0.7 0 N-CA-C 107.383 -1.34 . . . . 0.28 107.383 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -56.35 141.54 89.0 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 121.784 1.656 . . . . 0.29 112.29 -178.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.64 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -51.4 -35.9 41.11 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.716 0.635 . . . . 1.51 110.499 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.574 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -60.63 -49.62 76.8 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.692 -0.685 . . . . 0.57 110.894 178.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.459 ' O ' ' HB3' ' A' ' 49' ' ' MET . 1.2 mm -69.45 -35.81 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 116.428 -0.351 . . . . 0.34 110.35 178.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.863 HD22 ' HB3' ' A' ' 22' ' ' LEU . 56.8 mt -61.04 -37.23 81.88 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.698 0.285 . . . . 0.26 110.379 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -70.49 -51.16 30.97 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.576 0.584 . . . . 0.97 112.576 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -66.47 -38.93 88.41 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.688 -0.405 . . . . 0.77 111.379 -179.371 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.459 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -68.2 -29.92 68.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.15 -0.315 . . . . 1.07 110.15 179.829 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.482 ' HA ' HG21 ' A' ' 18' ' ' THR . . . -79.7 -29.75 40.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.359 -0.382 . . . . 0.22 110.953 178.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.02 -39.6 23.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.396 -0.365 . . . . 0.3 111.698 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -92.05 -39.41 11.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 C-N-CA 120.636 -0.426 . . . . 0.37 111.038 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.408 HD23 HG23 ' A' ' 81' ' ' ILE . 6.8 mt 59.38 73.7 0.65 Allowed Pre-proline 0 C--O 1.234 0.263 0 CA-C-N 115.469 -0.787 . . . . 0.41 110.51 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.46 ' HG2' ' CE1' ' A' ' 60' ' ' PHE . 13.7 Cg_endo -88.32 110.16 0.61 Allowed 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.048 2.499 . . . . 0.48 112.069 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.41 -49.46 9.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.05 -0.523 . . . . 1.66 110.732 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.491 ' ND2' ' H ' ' A' ' 58' ' ' SER . 0.1 OUTLIER -81.76 147.85 29.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.72 -0.673 . . . . 2.68 110.618 -179.642 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.626 ' O ' ' HB2' ' A' ' 60' ' ' PHE . 50.0 m-20 -64.44 -28.91 70.0 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.761 0.652 . . . . 2.68 112.761 -178.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.491 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -69.69 -35.22 74.91 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.911 -0.493 . . . . 1.02 110.718 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.94 -24.64 66.1 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.553 0.692 . . . . 0.62 109.834 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.626 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -59.93 -22.29 62.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.173 -0.922 . . . . 0.46 111.735 179.798 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.2 -27.1 68.74 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.334 0.494 . . . . 0.67 112.334 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.75 -8.05 59.66 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.793 0.33 . . . . 1.13 111.558 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 4.0 mt -74.18 -20.67 60.13 Favored 'General case' 0 N--CA 1.461 0.098 0 N-CA-C 108.371 -0.974 . . . . 0.68 108.371 177.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.67 -127.92 6.34 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.112 -1.195 . . . . 1.61 110.112 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.38 74.17 1.03 Allowed 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 121.033 -0.267 . . . . 2.55 111.522 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 m -71.93 131.18 34.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 N-CA-C 109.469 -0.567 . . . . 0.89 109.469 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.52 ' HB2' ' CD1' ' A' ' 70' ' ' TYR . 1.1 mt-10 -68.35 168.02 13.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.121 0.486 . . . . 2.42 111.673 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.6 -36.22 83.52 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.131 -0.692 . . . . 1.72 109.131 178.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.515 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -66.28 -27.47 67.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.652 -0.703 . . . . 1.97 110.33 178.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.52 ' CD1' ' HB2' ' A' ' 67' ' ' GLU . 11.8 m-85 -78.54 -41.12 33.05 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.764 -0.653 . . . . 1.29 109.633 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.453 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 0.8 OUTLIER -63.1 -35.84 81.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.859 -0.61 . . . . 2.55 110.658 179.616 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -56.68 -76.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.861 -0.609 . . . . 4.38 111.44 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -65.1 -6.05 8.07 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.51 -0.768 . . . . 1.44 111.524 -179.324 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.453 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -56.04 -33.25 64.77 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.239 -0.652 . . . . 0.36 109.239 177.862 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.49 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -58.05 -24.82 59.93 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.177 -0.919 . . . . 1.72 111.924 179.72 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -73.24 -12.59 60.91 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.999 0.428 . . . . 0.99 110.475 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.664 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 2.4 m-85 -106.18 -16.33 14.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.483 -0.78 . . . . 0.27 109.597 178.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.49 ' HB2' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -54.25 -32.97 57.42 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.743 0.646 . . . . 1.37 112.743 -178.424 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.16 -34.68 63.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.296 0.57 . . . . 0.56 110.031 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.67 -45.96 34.02 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.407 -0.815 . . . . 0.53 111.004 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 77' ' ' PHE . 22.7 mt -61.01 -25.38 35.9 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 CA-C-N 116.296 -0.411 . . . . 0.55 110.158 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.68 -33.55 53.22 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.111 0.481 . . . . 0.53 111.382 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.29 -45.19 18.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.195 -0.457 . . . . 1.4 110.883 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.863 HD13 HG23 ' A' ' 18' ' ' THR . 9.0 mt -65.72 -29.79 70.37 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.836 0.68 . . . . 0.48 112.836 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 p -72.66 -29.67 63.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.296 0.569 . . . . 1.37 109.68 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.66 -11.43 53.83 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.535 -0.757 . . . . 3.07 110.128 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 115.754 -0.657 . . . . 2.78 110.836 -179.808 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--O 1.231 0.128 0 N-CA-C 111.708 0.262 . . . . 2.24 111.708 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.563 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -62.96 -36.39 83.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.689 -0.232 . . . . 0.91 111.353 -179.413 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -64.34 -38.39 90.87 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.571 -0.529 . . . . 3.67 109.571 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.455 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -70.79 -33.05 70.34 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.82 -0.627 . . . . 2.93 110.087 178.479 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.647 HG23 HD13 ' A' ' 84' ' ' LEU . 25.6 m -63.61 -50.16 70.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.028 0.442 . . . . 0.38 110.194 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -65.12 -42.68 93.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.829 -0.623 . . . . 0.61 110.967 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.64 -37.05 79.39 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.619 -0.264 . . . . 2.35 111.587 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -66.64 -34.63 78.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.202 0.525 . . . . 3.57 109.626 178.795 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.739 ' HB3' HD22 ' A' ' 46' ' ' LEU . 1.7 mt -69.32 -38.26 78.15 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.469 -0.787 . . . . 0.33 109.631 178.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -65.21 -45.88 82.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.664 -0.698 . . . . 3.33 111.183 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -68.38 -34.97 77.0 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.182 -0.463 . . . . 2.36 109.755 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.588 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.2 -35.37 73.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.28 110.397 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.617 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 21.6 m -63.48 -36.26 83.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.13 0.49 . . . . 0.86 110.033 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mp -78.45 -33.85 48.14 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.913 -0.585 . . . . 0.6 110.463 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.445 ' O ' ' HB2' ' A' ' 32' ' ' ARG . 1.1 t-20 -71.3 -58.4 3.57 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.751 -0.659 . . . . 1.31 110.963 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.588 ' HG ' HD22 ' A' ' 25' ' ' LEU . 59.4 mt -63.46 -39.27 94.02 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.49 109.975 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 36' ' ' PRO . . . -59.03 -52.13 55.2 Favored Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.119 -0.946 . . . . 0.65 111.812 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.423 ' HA ' ' HB3' ' A' ' 36' ' ' PRO . 5.5 t-20 -71.63 -14.05 61.94 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.811 0.305 . . . . 1.94 111.208 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -88.33 -4.79 58.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.241 0.543 . . . . 3.82 110.343 179.434 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.52 165.18 12.29 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.694 -0.854 . . . . 1.84 108.694 178.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.2 t -133.98 112.92 12.49 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.983 -0.377 . . . . 1.87 109.983 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -74.24 155.84 99.82 Favored 'Cis proline' 0 C--N 1.346 0.399 0 C-N-CA 122.952 -1.687 . . . . 1.86 112.245 0.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.423 ' HB3' ' HA ' ' A' ' 31' ' ' ASN . 18.7 Cg_endo -59.12 129.59 32.43 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.36 2.04 . . . . 1.42 112.319 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -88.14 120.47 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 115.758 -0.656 . . . . 2.02 110.832 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.59 -26.97 40.49 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 110.16 -1.176 . . . . 1.27 110.16 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -119.85 64.5 0.81 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.793 -0.703 . . . . 2.13 109.797 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.617 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 27.5 t80 -57.36 -49.99 74.39 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.525 -0.761 . . . . 0.52 110.087 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.717 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 37.1 tpp -141.53 127.42 11.07 Favored Pre-proline 0 N--CA 1.449 -0.501 0 N-CA-C 108.558 -0.904 . . . . 0.28 108.558 178.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -56.9 141.8 93.22 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.629 2.22 . . . . 0.29 112.63 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.607 ' HA ' HD12 ' A' ' 46' ' ' LEU . 1.4 t0 -50.18 -39.4 43.73 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.426 -0.806 . . . . 1.51 111.419 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -65.36 -46.88 78.43 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.425 -0.807 . . . . 0.57 110.797 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.487 ' O ' ' HB3' ' A' ' 49' ' ' MET . 1.1 mm -67.56 -35.45 73.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.34 111.098 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.739 HD22 ' HB3' ' A' ' 22' ' ' LEU . 29.0 mt -61.94 -34.44 76.11 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.702 -0.481 . . . . 0.26 109.702 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -73.82 -48.77 28.95 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.036 -0.529 . . . . 0.97 112.133 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 44' ' ' SER . 4.0 ptpt -66.24 -38.0 86.85 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.757 -0.377 . . . . 0.77 110.709 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.487 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -71.09 -29.08 64.84 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.237 -0.438 . . . . 1.07 110.695 179.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.07 -28.98 48.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.804 0.335 . . . . 0.22 111.157 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.563 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -83.53 -35.67 24.62 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.436 0.532 . . . . 0.3 112.436 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -98.69 -34.03 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 122.381 -0.199 . . . . 0.37 111.455 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.702 HD13 ' HA ' ' A' ' 85' ' ' SER . 29.7 mt 54.46 71.52 1.32 Allowed Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.817 -0.629 . . . . 0.41 111.12 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.24 110.97 2.97 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 123.262 2.641 . . . . 0.48 112.461 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.7 mtp -79.84 -27.36 40.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.336 -0.393 . . . . 1.66 110.849 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -126.92 166.73 16.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.157 -0.474 . . . . 2.68 110.321 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.583 ' HA ' ' HB2' ' A' ' 60' ' ' PHE . 31.9 t70 -64.67 -24.43 67.57 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.96 0.41 . . . . 2.68 111.632 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -36.98 80.63 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.126 0.489 . . . . 1.02 109.811 178.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.04 -28.57 32.39 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.519 0.676 . . . . 0.62 109.714 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.583 ' HB2' ' HA ' ' A' ' 57' ' ' ASP . 1.5 m-85 -62.15 -24.99 67.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.255 -0.884 . . . . 0.46 109.964 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.53 -24.92 64.08 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.654 -0.703 . . . . 0.67 111.263 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.7 8.57 40.43 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.054 0.39 . . . . 1.13 112.054 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.441 HD22 ' HB2' ' A' ' 48' ' ' LYS . 2.2 mt -88.65 17.65 5.31 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.031 0.443 . . . . 0.68 110.276 178.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.73 -104.74 3.21 Favored Glycine 0 N--CA 1.438 -1.227 0 N-CA-C 110.816 -0.914 . . . . 1.61 110.816 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.11 76.4 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.813 0.307 . . . . 2.55 111.824 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.2 m -80.61 127.39 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.134 -0.626 . . . . 0.89 109.841 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HB2' ' HD2' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -73.75 162.23 29.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.812 -0.631 . . . . 2.42 109.818 -179.642 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.641 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 15.8 t70 -58.28 -34.08 70.13 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.885 -0.326 . . . . 1.72 110.27 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.409 ' HA ' ' HG3' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -63.36 -28.52 70.05 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.868 0.365 . . . . 1.97 110.583 179.023 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.442 ' HD2' ' HB2' ' A' ' 67' ' ' GLU . 39.4 m-85 -78.44 -33.44 48.51 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 108.915 -0.772 . . . . 1.29 108.915 178.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.653 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 6.2 mtm-85 -68.48 -31.6 70.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.721 -1.127 . . . . 2.55 110.264 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.641 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 8.6 mmt180 -51.79 -63.86 1.0 Allowed 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.681 -0.691 . . . . 4.38 111.231 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -3.21 50.44 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.901 -0.32 . . . . 1.44 110.919 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.653 ' HB2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -60.22 -35.97 76.63 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.131 0.491 . . . . 0.36 110.144 179.35 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 5.1 ptmt -61.19 -24.97 66.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.265 -0.88 . . . . 1.72 111.328 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.35 -8.62 58.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.836 0.35 . . . . 0.99 110.649 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.717 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.2 OUTLIER -103.73 -13.66 16.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.92 -0.582 . . . . 0.27 110.371 179.166 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -53.7 -34.12 57.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.985 -0.552 . . . . 1.37 112.483 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.12 -32.88 74.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.135 0.493 . . . . 0.56 111.089 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.29 -43.06 14.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.757 -0.656 . . . . 0.53 111.223 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.61 ' O ' ' HB2' ' A' ' 85' ' ' SER . 34.1 mt -59.03 -47.34 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.539 -0.301 . . . . 0.55 110.244 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.53 -44.87 89.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.08 -0.509 . . . . 0.53 111.22 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.81 -55.55 31.72 Favored 'General case' 0 CA--C 1.518 -0.258 0 O-C-N 123.569 0.543 . . . . 1.4 110.846 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.647 HD13 HG23 ' A' ' 18' ' ' THR . 11.0 mt -63.22 -27.85 69.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.615 -0.266 . . . . 0.48 111.459 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.702 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -71.41 -26.71 62.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.744 -0.465 . . . . 1.37 109.744 178.562 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -4.87 59.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.18 0.514 . . . . 3.07 110.037 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.383 -0.826 . . . . 2.78 110.609 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 . . . . . 0 C--O 1.233 0.228 0 CA-C-O 121.232 0.539 . . . . 2.24 110.408 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.822 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -61.64 -28.25 69.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.226 -0.897 . . . . 0.91 111.599 179.766 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -35.08 79.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.882 0.373 . . . . 3.67 110.744 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.8 ttt -68.67 -36.18 78.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.638 -0.71 . . . . 2.93 109.86 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.749 ' HA ' HD22 ' A' ' 84' ' ' LEU . 2.6 m -61.05 -45.93 92.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.77 -0.65 . . . . 0.38 109.519 178.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -63.5 -38.76 92.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.546 -0.752 . . . . 0.61 110.457 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.33 -48.29 78.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.186 -0.461 . . . . 2.35 111.355 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.597 ' HG2' HG22 ' A' ' 80' ' ' THR . 0.0 OUTLIER -60.04 -32.16 70.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.104 0.478 . . . . 3.57 110.218 179.577 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.818 ' HB3' HD22 ' A' ' 46' ' ' LEU . 5.1 mt -76.15 -39.81 54.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.913 -0.585 . . . . 0.33 110.719 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -37.98 78.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.367 . . . . 3.33 110.77 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.21 -36.23 69.11 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.416 0.627 . . . . 2.36 110.363 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.545 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -74.88 -37.74 62.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.779 -0.646 . . . . 0.28 109.936 -179.657 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -64.0 -36.68 84.76 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.051 -0.522 . . . . 0.86 111.058 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mp -75.56 -30.31 59.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.358 0.599 . . . . 0.6 109.639 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -72.27 -65.6 0.76 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.44 -0.8 . . . . 1.31 111.634 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.08 -37.1 83.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.076 -0.511 . . . . 0.49 111.591 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.14 -37.52 95.05 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.958 -0.639 . . . . 0.65 113.494 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -95.07 -13.88 24.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 117.082 0.441 . . . . 1.94 111.762 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.615 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -88.7 -9.0 53.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.906 0.86 . . . . 3.82 109.379 179.226 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.21 133.3 36.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.202 -0.908 . . . . 1.84 108.712 177.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.5 t -122.27 121.52 27.78 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.632 -0.507 . . . . 1.87 109.632 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 56.2 Cg_endo -70.5 148.89 89.39 Favored 'Cis proline' 0 C--N 1.345 0.37 0 C-N-CA 123.746 -1.356 . . . . 1.86 112.335 0.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 35' ' ' PRO . 77.2 Cg_exo -54.63 139.42 76.28 Favored 'Trans proline' 0 CA--C 1.516 -0.385 0 C-N-CA 122.731 2.287 . . . . 1.42 112.661 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -71.19 -28.84 33.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.229 -0.896 . . . . 2.02 111.117 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.99 -55.97 4.81 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.77 -0.932 . . . . 1.27 110.77 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.31 82.25 2.0 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.381 -0.6 . . . . 2.13 109.381 178.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.694 ' HZ ' ' HB2' ' A' ' 76' ' ' TYR . 26.5 t80 -52.83 -43.25 65.87 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.574 -0.739 . . . . 0.52 110.668 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.595 ' HB3' HD21 ' A' ' 46' ' ' LEU . 6.7 tpp -148.65 117.56 4.01 Favored Pre-proline 0 N--CA 1.44 -0.967 0 N-CA-C 108.096 -1.076 . . . . 0.28 108.096 177.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -57.18 144.19 91.2 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.965 2.443 . . . . 0.29 111.683 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.452 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.8 t70 -49.58 -41.11 40.89 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.319 0.648 . . . . 1.51 111.681 -179.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.596 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 15.7 m -62.99 -42.46 99.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.546 -0.297 . . . . 0.57 111.352 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.47 ' O ' ' HB3' ' A' ' 49' ' ' MET . 2.5 mm -71.35 -35.1 56.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 0.34 110.047 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.818 HD22 ' HB3' ' A' ' 22' ' ' LEU . 83.1 mt -61.72 -36.5 81.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.996 -0.547 . . . . 0.26 109.925 178.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -71.82 -45.17 62.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.97 112.124 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 44' ' ' SER . 4.4 ptpt -71.22 -39.22 71.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.962 0.411 . . . . 0.77 111.12 -179.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.47 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -68.65 -30.75 69.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.241 -0.436 . . . . 1.07 110.361 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.09 -30.19 49.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 0.22 110.928 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.822 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -83.83 -40.28 18.89 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.189 -0.459 . . . . 0.3 111.908 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.9 mp -88.29 -37.15 10.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 C-N-CA 120.352 -0.539 . . . . 0.37 111.101 -178.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.655 HD13 ' HA ' ' A' ' 85' ' ' SER . 22.8 mt 50.57 70.83 1.78 Allowed Pre-proline 0 C--O 1.236 0.352 0 CA-C-O 121.218 0.532 . . . . 0.41 110.334 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.516 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 5.8 Cg_exo -78.99 124.46 6.12 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 123.01 2.473 . . . . 0.48 113.006 -178.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -45.6 69.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.629 -0.714 . . . . 1.66 111.147 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.55 -172.99 3.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.22 -0.446 . . . . 2.68 110.509 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.642 ' HA ' ' HB2' ' A' ' 60' ' ' PHE . 17.2 t70 -56.31 -31.08 63.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.995 -0.548 . . . . 2.68 112.455 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -51.54 59.85 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.041 0.448 . . . . 1.02 111.261 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.04 -30.2 39.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.209 -0.45 . . . . 0.62 110.954 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.642 ' HB2' ' HA ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -53.53 -24.46 13.49 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.095 -0.502 . . . . 0.46 112.351 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.82 -25.12 64.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.525 -0.307 . . . . 0.67 111.683 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.3 p -79.19 -1.87 38.33 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.951 0.352 . . . . 1.13 111.951 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.426 HD22 ' HB2' ' A' ' 48' ' ' LYS . 3.1 mt -82.48 -8.21 59.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.899 0.38 . . . . 0.68 110.419 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.23 45.4 3.04 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.383 -0.913 . . . . 1.61 112.38 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 51.09 79.65 0.09 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.285 0.634 . . . . 2.55 112.259 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.8 m -70.91 148.37 10.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.054 -0.521 . . . . 0.89 110.492 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.546 ' HB3' ' HG2' ' A' ' 69' ' ' LYS . 4.9 mt-10 -71.85 152.68 42.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.135 -0.484 . . . . 2.42 110.529 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.594 ' HA ' ' HB2' ' A' ' 71' ' ' ARG . 27.7 t70 -59.34 -34.07 71.91 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.24 -0.436 . . . . 1.72 110.478 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.546 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -62.37 -29.16 70.27 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.918 0.39 . . . . 1.97 110.817 178.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.467 ' HD2' ' HB2' ' A' ' 67' ' ' GLU . 73.9 m-85 -88.86 -33.32 17.39 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 108.942 -0.762 . . . . 1.29 108.942 178.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.655 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -63.53 -36.94 85.45 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.539 -1.21 . . . . 2.55 111.522 179.7 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.29 -40.51 62.22 Favored 'General case' 0 N--CA 1.421 -1.909 0 N-CA-C 112.087 0.403 . . . . 4.38 112.087 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -84.06 -1.79 55.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.592 0.711 . . . . 1.44 109.815 -179.654 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.655 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -60.81 -35.58 76.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.854 -1.066 . . . . 0.36 111.123 178.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -23.16 17.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.531 -0.759 . . . . 1.72 113.04 -179.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.694 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 63.4 m-85 -74.26 -9.44 58.61 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.777 0.322 . . . . 0.99 110.765 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.571 ' CE1' HD23 ' A' ' 22' ' ' LEU . 3.5 m-85 -112.01 -11.57 13.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.208 -0.451 . . . . 0.27 110.492 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.38 -36.79 10.14 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.061 1.134 . . . . 1.37 114.061 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.71 -34.35 52.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.162 0.506 . . . . 0.56 110.819 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.597 HG22 ' HG2' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -73.14 -46.09 53.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.47 -0.786 . . . . 0.53 111.322 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 77' ' ' PHE . 24.5 mt -59.57 -34.74 55.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.308 -0.405 . . . . 0.55 110.256 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.61 -37.1 60.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.53 111.617 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.05 -40.48 75.07 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.943 0.401 . . . . 1.4 110.743 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.749 HD22 ' HA ' ' A' ' 18' ' ' THR . 13.0 mt -76.26 -30.09 57.71 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.899 0.703 . . . . 0.48 112.899 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.655 ' HA ' HD13 ' A' ' 53' ' ' LEU . 4.7 p -71.66 -27.17 62.88 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.915 -0.491 . . . . 1.37 111.474 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.85 -23.17 24.07 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.123 0.416 . . . . 3.07 112.123 -178.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.653 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 N-CA-C 113.457 0.91 . . . . 2.78 113.457 -177.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 120.728 0.299 . . . . 2.24 110.207 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -35.59 76.75 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.5 -0.556 . . . . 0.91 109.5 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -38.14 78.53 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.017 -0.735 . . . . 3.67 109.017 178.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.441 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 1.7 ttt -62.01 -44.45 96.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.447 -0.797 . . . . 2.93 109.824 178.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.581 ' HA ' HD22 ' A' ' 84' ' ' LEU . 22.6 m -65.94 -44.92 83.64 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.022 -0.535 . . . . 0.38 111.103 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.479 ' CE1' ' HG3' ' A' ' 47' ' ' LYS . 9.0 t80 -65.68 -41.18 92.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.461 -0.791 . . . . 0.61 111.207 -179.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.489 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 4.5 mm-40 -75.65 -31.04 59.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.405 -0.361 . . . . 2.35 111.577 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 17' ' ' MET . 0.1 OUTLIER -68.83 -32.34 71.97 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.247 -0.649 . . . . 3.57 109.247 178.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.762 ' HB3' HD22 ' A' ' 46' ' ' LEU . 2.2 mt -73.64 -34.5 65.0 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.584 -0.735 . . . . 0.33 109.917 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.455 HH11 ' HD2' ' A' ' 23' ' ' ARG . 1.3 ttp180 -69.11 -41.78 76.95 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.27 -0.877 . . . . 3.33 110.362 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -68.2 -38.37 81.9 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.474 0.654 . . . . 2.36 110.132 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.588 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -68.03 -34.92 77.39 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.394 -0.821 . . . . 0.28 109.457 178.724 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.509 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -67.95 -35.39 78.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.618 -0.719 . . . . 0.86 111.414 179.879 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.25 -31.59 69.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.314 -0.403 . . . . 0.6 111.106 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.22 -54.45 4.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 1.31 111.865 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.536 ' HG ' HD22 ' A' ' 25' ' ' LEU . 28.1 mt -58.27 -37.63 75.36 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.465 0.543 . . . . 0.49 112.465 -179.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.4 -34.12 73.75 Favored Glycine 0 C--O 1.23 -0.143 0 C-N-CA 120.869 -0.682 . . . . 0.65 112.546 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -89.53 -14.69 34.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.432 0.634 . . . . 1.94 110.327 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.505 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -91.32 -4.22 56.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.737 -0.665 . . . . 3.82 110.946 -179.675 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -53.67 23.98 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.122 -0.49 . . . . 1.84 111.109 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 23.8 t 59.76 100.88 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.615 0 O-C-N 123.818 0.699 . . . . 1.87 111.408 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 11.5 Cg_exo -67.63 145.95 75.61 Favored 'Cis proline' 0 C--N 1.348 0.509 0 C-N-CA 123.229 -1.571 . . . . 1.86 112.446 0.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 35' ' ' PRO . 53.0 Cg_exo -53.9 132.01 47.4 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.07 2.513 . . . . 1.42 112.029 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.8 t -73.98 -26.67 21.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.975 -0.557 . . . . 2.02 111.042 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.63 -53.14 4.69 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.38 -1.088 . . . . 1.27 110.38 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -133.41 87.79 2.42 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.609 -0.886 . . . . 2.13 108.609 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.568 ' HZ ' ' HB2' ' A' ' 76' ' ' TYR . 8.3 t80 -50.38 -78.79 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 O-C-N 124.168 0.917 . . . . 0.52 109.649 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.83 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 7.1 tpp -116.98 127.97 26.35 Favored Pre-proline 0 C--N 1.319 -0.753 0 N-CA-C 108.875 -0.787 . . . . 0.28 108.875 177.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 41' ' ' MET . 24.5 Cg_exo -64.15 150.06 89.1 Favored 'Trans proline' 0 C--O 1.238 0.492 0 C-N-CA 122.204 1.936 . . . . 0.29 111.573 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.506 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -51.28 -36.27 41.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.044 0.84 . . . . 1.51 111.495 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.461 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -62.32 -53.5 54.12 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.747 -0.66 . . . . 0.57 111.677 -179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.457 ' O ' ' HB3' ' A' ' 49' ' ' MET . 40.4 mm -64.73 -35.58 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.34 111.165 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.762 HD22 ' HB3' ' A' ' 22' ' ' LEU . 70.3 mt -61.47 -35.99 79.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.198 -0.455 . . . . 0.26 111.002 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 18.7 mttt -70.42 -51.65 27.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.316 0.487 . . . . 0.97 112.316 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -67.59 -38.53 84.16 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.872 0.323 . . . . 0.77 111.872 -178.724 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.457 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -69.86 -30.15 67.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.425 -0.352 . . . . 1.07 110.373 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.67 -31.62 65.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.606 -0.27 . . . . 0.22 111.397 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.22 -45.44 15.05 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.168 0.433 . . . . 0.3 112.168 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 mp -82.05 -38.23 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 111.765 0.283 . . . . 0.37 111.765 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 53' ' ' LEU . 4.8 mt 54.75 69.49 2.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 O-C-N 123.803 0.689 . . . . 0.41 110.457 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.428 ' HG2' ' CE1' ' A' ' 60' ' ' PHE . 24.7 Cg_exo -61.49 109.8 0.81 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.545 2.164 . . . . 0.48 111.877 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -15.34 60.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.932 -0.576 . . . . 1.66 110.931 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -143.67 162.98 34.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 2.68 110.553 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.93 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 0.1 OUTLIER -67.99 -14.57 63.07 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.986 0.422 . . . . 2.68 111.066 -179.511 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -44.52 60.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.141 0.496 . . . . 1.02 110.483 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.84 -27.11 68.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.62 0.724 . . . . 0.62 110.639 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.93 ' HD2' ' HA ' ' A' ' 57' ' ' ASP . 2.9 m-85 -53.6 -25.98 19.87 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.968 -1.014 . . . . 0.46 113.0 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.45 -26.14 66.52 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.034 0.383 . . . . 0.67 112.034 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.6 -2.2 57.91 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 122.059 -0.401 . . . . 1.13 111.841 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 63' ' ' LEU . 4.8 mt -72.25 -25.27 61.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.434 0.635 . . . . 0.68 109.516 178.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.7 -113.22 1.73 Allowed Glycine 0 N--CA 1.439 -1.166 0 N-CA-C 111.128 -0.789 . . . . 1.61 111.128 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.39 72.43 1.5 Allowed 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 120.545 0.212 . . . . 2.55 110.636 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.27 129.07 35.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 N-CA-C 109.901 -0.407 . . . . 0.89 109.901 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.412 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.6 OUTLIER -49.44 150.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.897 -0.592 . . . . 2.42 111.651 -179.119 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.07 -39.69 79.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.407 0.622 . . . . 1.72 109.568 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.474 ' O ' ' HD2' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -71.88 -26.5 62.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.088 -0.96 . . . . 1.97 110.518 179.173 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.481 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . 14.1 m-30 -73.68 -39.21 64.58 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.057 -0.72 . . . . 1.29 109.057 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.762 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -69.35 -34.26 74.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.925 -0.768 . . . . 2.55 108.925 177.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.461 ' O ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -64.1 -49.55 71.81 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.479 -0.782 . . . . 4.38 111.082 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.481 ' CD ' ' HA ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -83.15 -4.32 58.26 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.592 -0.443 . . . . 1.44 110.912 179.879 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.762 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -53.57 -31.15 45.49 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.201 -0.454 . . . . 0.36 110.151 178.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.461 ' HD3' ' O ' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -57.06 -24.32 53.04 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.9 -0.591 . . . . 1.72 111.931 179.619 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.568 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 75.9 m-85 -81.33 -10.21 59.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.17 0.509 . . . . 0.99 110.306 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.83 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.2 OUTLIER -106.69 -16.76 14.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.193 -0.912 . . . . 0.27 109.889 179.027 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -30.75 64.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.987 -0.552 . . . . 1.37 111.428 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.62 -31.28 66.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.995 0.426 . . . . 0.56 110.686 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -44.33 14.35 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.716 -0.674 . . . . 0.53 111.497 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 77' ' ' PHE . 51.4 mt -59.16 -34.72 54.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.424 -0.353 . . . . 0.55 110.559 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.21 -26.99 47.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.916 0.389 . . . . 0.53 111.431 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -82.59 -42.23 18.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.509 -0.314 . . . . 1.4 111.417 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.581 HD22 ' HA ' ' A' ' 18' ' ' THR . 6.3 mt -64.27 -28.56 69.81 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.876 0.324 . . . . 0.48 111.876 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.25 -30.05 64.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.267 0.556 . . . . 1.37 110.468 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm -80.96 -32.14 34.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.821 -0.627 . . . . 3.07 109.73 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.666 -0.697 . . . . 2.78 110.624 179.759 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.123 -0.695 . . . . 2.24 109.123 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.62 HD11 ' HA ' ' A' ' 51' ' ' ALA . 1.6 tt -62.82 -33.2 74.72 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 115.648 -0.706 . . . . 0.91 109.327 178.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -38.04 86.59 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.422 -0.955 . . . . 3.67 108.422 178.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -36.72 80.56 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.697 -0.683 . . . . 2.93 110.022 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.572 ' HA ' HD22 ' A' ' 84' ' ' LEU . 7.6 m -58.84 -52.82 64.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.457 0.646 . . . . 0.38 109.307 178.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.429 ' CE1' ' HG3' ' A' ' 47' ' ' LYS . 73.1 t80 -63.43 -39.92 95.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.084 -0.962 . . . . 0.61 110.635 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.5 -47.1 85.45 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.775 -0.648 . . . . 2.35 111.014 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -64.08 -32.96 74.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.993 0.425 . . . . 3.57 110.922 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.891 ' HB3' HD22 ' A' ' 46' ' ' LEU . 4.4 mt -66.91 -36.47 82.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.118 -0.492 . . . . 0.33 110.098 179.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.39 -38.63 55.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.119 0.485 . . . . 3.33 110.343 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.403 ' HG2' ' NH2' ' A' ' 21' ' ' ARG . 3.1 tp10 -64.51 -35.05 79.71 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.229 -0.656 . . . . 2.36 109.229 178.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.581 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -76.55 -35.63 58.13 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.191 -0.913 . . . . 0.28 109.343 179.035 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.683 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 1.5 t -63.77 -36.82 85.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.86 111.158 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 mp -80.85 -33.08 34.78 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.452 -0.499 . . . . 0.6 110.788 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -71.75 -52.01 19.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.883 0.373 . . . . 1.31 110.454 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.581 ' HG ' HD22 ' A' ' 25' ' ' LEU . 46.5 mt -65.33 -40.11 93.27 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.945 -0.57 . . . . 0.49 109.881 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' A' ' 36' ' ' PRO . . . -60.78 -43.54 99.05 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.708 -0.758 . . . . 0.65 112.474 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.498 ' HA ' ' HB3' ' A' ' 36' ' ' PRO . 44.5 t30 -72.02 -16.46 62.06 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.374 0.606 . . . . 1.94 110.861 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -87.68 -4.97 58.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.902 0.858 . . . . 3.82 109.545 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 6.2 mtt -104.8 159.82 15.48 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.065 -0.971 . . . . 1.84 109.817 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.3 t -125.75 118.44 24.29 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 110.071 -0.344 . . . . 1.87 110.071 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.46 152.72 90.86 Favored 'Cis proline' 0 C--O 1.237 0.455 0 C-N-CA 123.159 -1.6 . . . . 1.86 112.471 0.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.537 ' HA ' ' O ' ' A' ' 30' ' ' GLY . 53.3 Cg_exo -51.04 127.35 21.45 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.484 2.123 . . . . 1.42 112.082 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.07 102.85 14.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.388 -0.823 . . . . 2.02 111.732 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.31 -32.26 75.57 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 110.497 -1.041 . . . . 1.27 110.497 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -105.87 66.19 0.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 107.865 -1.161 . . . . 2.13 107.865 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.683 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 27.0 t80 -61.11 -42.56 98.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.762 -1.108 . . . . 0.52 109.729 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.626 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 5.9 tpp -132.57 131.89 22.43 Favored Pre-proline 0 C--N 1.317 -0.818 0 N-CA-C 108.005 -1.109 . . . . 0.28 108.005 177.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.772 ' HG2' ' HE2' ' A' ' 70' ' ' TYR . 72.1 Cg_exo -54.01 140.52 69.59 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.826 2.351 . . . . 0.29 112.923 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -51.66 -43.67 62.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.955 -1.02 . . . . 1.51 111.572 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.424 ' O ' ' HE2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -65.0 -48.12 75.06 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.674 -0.694 . . . . 0.57 111.364 -179.607 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.406 HD13 ' HE3' ' A' ' 48' ' ' LYS . 4.8 mm -63.35 -36.7 77.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.383 -0.371 . . . . 0.34 111.001 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.891 HD22 ' HB3' ' A' ' 22' ' ' LEU . 48.1 mt -63.83 -38.6 91.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.913 0.387 . . . . 0.26 111.101 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.429 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 20.0 mttt -67.28 -46.41 73.71 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.974 0.731 . . . . 0.97 112.974 -178.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.424 ' HE2' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -69.97 -39.72 75.82 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.625 -0.43 . . . . 0.77 111.384 -179.328 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.473 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -66.09 -32.02 73.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.843 -0.617 . . . . 1.07 110.54 -179.658 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.44 -28.35 52.44 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.239 0.542 . . . . 0.22 110.777 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.62 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -77.92 -36.78 49.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.208 0.447 . . . . 0.3 112.208 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mp -97.8 -34.57 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 111.774 0.287 . . . . 0.37 111.774 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.834 HD13 ' HA ' ' A' ' 85' ' ' SER . 18.4 mt 59.02 75.75 0.49 Allowed Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.563 -0.744 . . . . 0.41 111.14 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -76.67 106.26 2.22 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.981 2.454 . . . . 0.48 112.462 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.482 ' HG2' ' HA ' ' A' ' 82' ' ' ALA . 1.6 mtp -84.35 -11.77 55.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.237 0.541 . . . . 1.66 110.212 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -126.59 155.24 42.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.756 -0.656 . . . . 2.68 110.524 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 60' ' ' PHE . 0.2 OUTLIER -68.04 -27.64 66.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.726 -0.67 . . . . 2.68 111.43 -179.639 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.3 -30.64 70.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.253 0.549 . . . . 1.02 110.348 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.73 -26.31 60.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.791 -0.641 . . . . 0.62 110.261 179.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.722 ' HE2' ' HE3' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -60.18 -27.32 67.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.466 -0.788 . . . . 0.46 112.122 -179.497 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.6 -26.06 66.07 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.01 0.374 . . . . 0.67 112.01 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -7.31 59.64 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.193 0.442 . . . . 1.13 112.193 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.473 HD21 ' HA ' ' A' ' 49' ' ' MET . 12.8 mt -65.83 -36.17 82.74 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 108.66 -0.867 . . . . 0.68 108.66 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.12 44.15 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.831 0 CA-C-N 114.572 -1.195 . . . . 1.61 110.751 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 48.56 77.78 0.09 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.772 0.829 . . . . 2.55 112.061 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.8 m -72.01 139.95 18.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.815 -0.63 . . . . 0.89 110.653 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.623 ' HB3' ' HD3' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -67.0 157.18 34.08 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.903 -0.406 . . . . 2.42 109.903 179.748 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.98 -35.93 76.06 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.138 -0.225 . . . . 1.72 111.076 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.623 ' HD3' ' HB3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -65.21 -25.99 67.94 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.923 0.392 . . . . 1.97 111.002 179.709 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.772 ' HE2' ' HG2' ' A' ' 42' ' ' PRO . 40.3 m-85 -76.48 -33.01 58.69 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.083 -0.71 . . . . 1.29 109.083 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.713 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 5.1 mtm105 -67.31 -31.14 71.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.137 -0.938 . . . . 2.55 109.769 178.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.628 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 7.5 mmm180 -50.44 -56.37 11.77 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.297 -0.865 . . . . 4.38 112.137 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.561 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -88.54 -3.27 58.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.197 0.523 . . . . 1.44 109.9 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.713 ' HB2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -63.42 -35.28 79.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.812 -0.631 . . . . 0.36 109.724 178.828 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 18.1 ptpt -61.08 -24.88 66.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.192 -0.913 . . . . 1.72 111.937 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 73' ' ' ARG . 65.5 m-85 -78.21 -9.31 59.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.99 110.564 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.626 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 5.2 m-85 -108.24 -16.96 14.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.201 -0.454 . . . . 0.27 110.557 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.722 ' HE3' ' HE2' ' A' ' 60' ' ' PHE . 0.1 OUTLIER -49.54 -34.65 18.0 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.819 1.044 . . . . 1.37 113.819 -177.592 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.93 -36.47 69.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.914 -0.492 . . . . 0.56 111.198 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.39 -43.31 33.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.852 -0.613 . . . . 0.53 111.776 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 77' ' ' PHE . 19.6 mt -59.88 -34.06 54.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.55 110.377 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.482 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -75.43 -27.18 58.86 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.067 0.46 . . . . 0.53 110.956 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -82.59 -46.97 12.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 1.4 111.331 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.572 HD22 ' HA ' ' A' ' 18' ' ' THR . 11.8 mt -62.01 -28.51 69.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.076 -0.511 . . . . 0.48 112.031 -179.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.834 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -69.67 -27.56 65.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.826 0.346 . . . . 1.37 111.433 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.4 -3.44 56.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.891 0.377 . . . . 3.07 111.03 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 116.1 -0.5 . . . . 2.78 110.675 179.805 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 . . . . . 0 N--CA 1.462 0.144 0 N-CA-C 111.514 0.19 . . . . 2.24 111.514 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -69.37 -33.36 72.95 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.352 -0.539 . . . . 0.91 110.858 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -67.24 -35.27 79.21 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.917 -0.772 . . . . 3.67 108.917 178.639 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -43.23 94.09 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 115.551 -0.75 . . . . 2.93 109.091 177.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.811 HG23 HD13 ' A' ' 84' ' ' LEU . 57.4 m -60.3 -44.36 95.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.777 -0.647 . . . . 0.38 110.252 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -65.05 -44.47 88.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.985 -0.552 . . . . 0.61 110.918 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -67.99 -35.97 79.23 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.062 -0.255 . . . . 2.35 111.335 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -32.73 74.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.184 0.516 . . . . 3.57 110.072 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.756 ' HB3' HD22 ' A' ' 46' ' ' LEU . 7.9 mt -75.25 -32.39 61.07 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.322 -0.622 . . . . 0.33 109.322 177.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 23' ' ' ARG . 13.8 ttt180 -70.31 -40.9 73.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.907 -0.588 . . . . 3.33 109.835 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.79 -36.38 80.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 2.36 110.351 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.689 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -74.57 -33.61 62.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.472 -0.786 . . . . 0.28 110.199 179.517 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.712 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -63.45 -37.05 85.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.748 -0.66 . . . . 0.86 110.836 179.671 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.14 -32.37 56.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.518 0.675 . . . . 0.6 109.713 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -67.96 -56.87 7.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.319 -0.855 . . . . 1.31 111.303 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 76' ' ' TYR . 58.6 mt -68.04 -32.58 73.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 0.49 110.745 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.17 -36.33 92.21 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.623 -0.799 . . . . 0.65 112.097 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -15.19 37.43 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.07 0.462 . . . . 1.94 111.021 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -92.67 -2.95 55.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.598 0.713 . . . . 3.82 109.85 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.61 152.91 18.02 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.444 -0.798 . . . . 1.84 109.136 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.455 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 1.6 t -120.8 114.82 32.38 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 116.109 -0.496 . . . . 1.87 110.234 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 60.8 Cg_endo -85.1 162.49 63.32 Favored 'Cis proline' 0 N--CA 1.458 -0.575 0 C-N-CA 123.171 -1.596 . . . . 1.86 111.954 0.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.42 120.76 6.75 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.754 2.303 . . . . 1.42 112.809 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -75.97 -37.12 33.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.576 -1.193 . . . . 2.02 111.492 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.64 -73.0 2.13 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.349 -1.1 . . . . 1.27 110.349 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -95.43 71.56 3.18 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.716 -0.846 . . . . 2.13 108.716 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.712 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 13.2 t80 -48.48 -77.36 0.02 OUTLIER 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.025 -0.989 . . . . 0.52 110.453 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.733 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 35.2 tpp -107.71 125.07 33.07 Favored Pre-proline 0 N--CA 1.441 -0.907 0 N-CA-C 108.995 -0.742 . . . . 0.28 108.995 178.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -53.03 145.97 39.62 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 123.071 2.514 . . . . 0.29 112.41 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.82 -44.39 66.65 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.794 -0.639 . . . . 1.51 111.425 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.497 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -61.68 -40.43 94.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.852 -0.613 . . . . 0.57 111.04 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.482 ' O ' ' HB3' ' A' ' 49' ' ' MET . 7.3 mm -71.32 -37.22 64.61 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-N 116.211 -0.449 . . . . 0.34 110.777 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.756 HD22 ' HB3' ' A' ' 22' ' ' LEU . 84.1 mt -61.51 -36.55 80.85 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.959 -0.386 . . . . 0.26 109.959 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 mttp -69.68 -50.14 46.75 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.298 0.481 . . . . 0.97 112.298 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -66.44 -39.48 88.92 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 120.67 -0.412 . . . . 0.77 110.91 -179.201 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.566 ' HE3' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -69.2 -29.93 68.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.249 -0.432 . . . . 1.07 110.444 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.31 -31.59 38.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.22 111.202 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.455 ' HA ' HD21 ' A' ' 15' ' ' LEU . . . -78.77 -40.12 34.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.574 -0.284 . . . . 0.3 111.335 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -88.8 -35.6 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.458 -0.337 . . . . 0.37 110.992 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 53' ' ' LEU . 15.1 mt 52.89 70.2 1.96 Allowed Pre-proline 0 C--N 1.327 -0.398 0 O-C-N 123.971 0.794 . . . . 0.41 109.883 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.492 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 3.0 Cg_exo -73.21 108.54 2.63 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 123.328 2.686 . . . . 0.48 112.475 -178.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -21.38 42.82 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.913 -0.585 . . . . 1.66 110.467 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -116.99 173.67 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.283 -0.417 . . . . 2.68 110.655 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.06 -13.65 52.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.038 0.447 . . . . 2.68 111.149 -179.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -46.54 56.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.061 0.458 . . . . 1.02 110.447 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 54' ' ' PRO . . . -63.19 -23.97 67.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.224 0.535 . . . . 0.62 110.302 178.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.489 ' HD1' ' HA ' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -62.46 -26.57 68.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.638 -0.71 . . . . 0.46 111.859 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.22 -25.4 68.05 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.872 0.323 . . . . 0.67 111.872 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.04 1.42 35.84 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.008 0.374 . . . . 1.13 112.008 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.5 mt -80.58 -31.94 36.65 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 107.795 -1.187 . . . . 0.68 107.795 177.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.26 -64.7 3.72 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 115.167 -0.924 . . . . 1.61 115.1 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.11 33.12 0.49 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 115.222 1.564 . . . . 2.55 115.222 -176.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.44 ' CG1' HD12 ' A' ' 45' ' ' ILE . 33.7 m -118.47 102.35 13.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.888 0.851 . . . . 0.89 109.342 176.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -77.48 -177.37 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.261 -0.881 . . . . 2.42 110.44 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -54.87 -40.25 69.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.212 -0.449 . . . . 1.72 111.365 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.406 ' HD2' ' H ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -70.92 -31.18 67.71 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.274 -0.421 . . . . 1.97 111.336 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -76.24 -37.6 57.45 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.42 -0.585 . . . . 1.29 109.42 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.845 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 16.3 mmm-85 -69.21 -33.84 73.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.54 -0.755 . . . . 2.55 110.501 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.449 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -65.51 -61.94 1.81 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.734 -0.666 . . . . 4.38 112.356 -179.167 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -4.45 6.76 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.21 0.529 . . . . 1.44 111.127 -179.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.845 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -57.77 -29.15 64.6 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.872 -0.603 . . . . 0.36 110.054 178.027 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 2.0 pttt -52.67 -25.0 9.6 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.215 -0.902 . . . . 1.72 112.345 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.547 ' HB3' HD13 ' A' ' 29' ' ' LEU . 74.8 m-85 -82.68 -8.23 59.61 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 120.951 0.405 . . . . 0.99 111.266 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.733 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.3 OUTLIER -110.92 -12.47 14.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.359 -0.382 . . . . 0.27 110.844 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.04 -34.56 56.98 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.912 0.708 . . . . 1.37 112.912 -177.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.94 -32.29 63.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.162 0.506 . . . . 0.56 110.534 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -51.73 17.01 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.312 -0.858 . . . . 0.53 110.76 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 77' ' ' PHE . 13.1 mt -55.93 -42.53 71.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.457 -0.792 . . . . 0.55 110.909 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.68 -38.02 80.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 0.53 111.959 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -70.62 -39.8 73.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.447 -0.342 . . . . 1.4 111.056 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.811 HD13 HG23 ' A' ' 18' ' ' THR . 27.0 mt -67.68 -31.94 72.25 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.375 0.509 . . . . 0.48 112.375 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -28.97 63.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.171 0.51 . . . . 1.37 109.856 178.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.18 -29.59 48.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.778 -0.646 . . . . 3.07 110.191 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm . . . . . 0 C--O 1.236 0.384 0 CA-C-N 116.092 -0.504 . . . . 2.78 111.148 -179.824 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.189 0 N-CA-C 109.871 -0.418 . . . . 2.24 109.871 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.751 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -82.54 -30.95 29.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.751 -0.659 . . . . 0.91 110.351 178.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.504 ' HD2' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -65.47 -38.19 89.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.951 -0.568 . . . . 3.67 110.664 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.2 ttm -61.36 -41.91 97.85 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.287 -0.635 . . . . 2.93 109.287 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.586 HG23 HD13 ' A' ' 84' ' ' LEU . 1.5 m -63.3 -48.65 77.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.305 -0.861 . . . . 0.38 110.562 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.453 ' CE1' ' HG3' ' A' ' 47' ' ' LYS . 89.2 t80 -62.06 -43.2 99.35 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.871 -0.604 . . . . 0.61 111.092 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -41.91 77.31 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.026 -0.533 . . . . 2.35 111.21 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.19 -40.55 94.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.251 0.548 . . . . 3.57 110.974 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.674 ' HB3' HD22 ' A' ' 46' ' ' LEU . 1.1 mt -68.26 -36.89 80.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.693 -0.685 . . . . 0.33 110.209 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -45.62 91.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.261 0.553 . . . . 3.33 110.519 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.89 -34.61 76.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.612 -0.722 . . . . 2.36 111.025 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.696 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -74.52 -32.05 62.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.194 -0.457 . . . . 0.28 110.277 -179.501 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.712 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 23.5 m -66.68 -36.36 82.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.946 0.403 . . . . 0.86 110.076 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -74.65 -32.02 62.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.851 -0.613 . . . . 0.6 110.627 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.08 -55.92 5.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.991 -0.55 . . . . 1.31 111.78 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.585 ' HG ' HD22 ' A' ' 25' ' ' LEU . 67.1 mt -64.94 -41.3 95.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.532 -0.304 . . . . 0.49 111.44 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.74 -43.38 97.86 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.794 -0.717 . . . . 0.65 113.159 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -78.07 -13.41 59.88 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 117.194 0.497 . . . . 1.94 111.54 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.57 -4.91 47.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.958 0.408 . . . . 3.82 110.579 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.82 159.24 21.44 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.585 -0.524 . . . . 1.84 109.585 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 42.7 t -136.3 111.88 10.06 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.578 -0.283 . . . . 1.87 110.596 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 13.4 Cg_exo -70.75 149.34 90.8 Favored 'Cis proline' 0 C--N 1.347 0.498 0 C-N-CA 123.685 -1.381 . . . . 1.86 112.128 -0.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' PRO . 52.2 Cg_exo -57.65 130.58 39.45 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.649 2.233 . . . . 1.42 112.491 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.39 121.9 36.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.735 -0.666 . . . . 2.02 109.518 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.54 -53.54 43.06 Favored Glycine 0 CA--C 1.504 -0.651 0 N-CA-C 110.716 -0.954 . . . . 1.27 110.716 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -114.84 93.56 4.37 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 122.285 1.04 . . . . 2.13 109.467 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.712 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 17.7 t80 -60.58 -57.63 11.91 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.251 -0.886 . . . . 0.52 108.915 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.706 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -134.63 126.2 17.94 Favored Pre-proline 0 N--CA 1.441 -0.877 0 CA-C-N 115.335 -0.848 . . . . 0.28 108.849 177.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 41' ' ' MET . 26.2 Cg_exo -63.81 148.96 91.73 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.697 2.264 . . . . 0.29 112.345 -178.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -52.48 -37.59 57.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.499 -0.773 . . . . 1.51 110.812 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.557 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -64.05 -52.08 61.07 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.777 -0.647 . . . . 0.57 111.095 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.442 ' O ' ' HB3' ' A' ' 49' ' ' MET . 19.5 mm -64.08 -37.68 80.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.615 -0.72 . . . . 0.34 111.343 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.807 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 50.4 mt -62.0 -35.27 78.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.485 -0.325 . . . . 0.26 110.736 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.453 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 51.8 mttt -72.42 -43.05 64.4 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.194 0.442 . . . . 0.97 112.194 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.1 OUTLIER -73.85 -40.98 62.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.98 0.419 . . . . 0.77 110.739 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.807 ' SD ' ' HA ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -65.88 -31.1 71.85 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.188 -0.46 . . . . 1.07 111.074 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' A' ' 18' ' ' THR . . . -79.29 -27.95 42.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.001 0.429 . . . . 0.22 110.782 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.751 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -84.19 -39.38 19.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.022 -0.536 . . . . 0.3 112.397 -178.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.449 HG21 ' OG1' ' A' ' 62' ' ' THR . 1.2 mp -88.06 -34.37 7.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.693 0.283 . . . . 0.37 110.897 -179.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.549 HD23 HG23 ' A' ' 81' ' ' ILE . 11.1 mt 56.15 65.49 4.21 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 115.704 -0.68 . . . . 0.41 111.589 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.3 113.46 3.77 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.044 2.496 . . . . 0.48 111.579 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.456 ' HG2' ' HA ' ' A' ' 82' ' ' ALA . 3.2 mtp -65.76 -25.96 67.5 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.29 0.478 . . . . 1.66 112.29 -178.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -150.54 -175.39 5.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.066 0.46 . . . . 2.68 111.656 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.666 ' HA ' ' CD2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -61.47 -31.75 71.73 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.083 -0.962 . . . . 2.68 112.34 -178.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -49.07 77.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.831 0.348 . . . . 1.02 111.719 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.31 -26.58 68.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.62 111.621 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.666 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 2.7 m-30 -50.52 -24.59 3.28 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.397 0.888 . . . . 0.46 113.397 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.48 -23.98 42.89 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.907 0.384 . . . . 0.67 111.507 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.449 ' OG1' HG21 ' A' ' 52' ' ' ILE . 77.5 p -79.13 -25.69 42.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.932 0.396 . . . . 1.13 111.119 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' ' 49' ' ' MET . 5.4 mt -66.5 -34.09 77.14 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.761 0.791 . . . . 0.68 109.724 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.98 -155.33 16.74 Favored Glycine 0 N--CA 1.438 -1.204 0 CA-C-N 114.724 -1.125 . . . . 1.61 111.063 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.28 68.85 9.94 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 111.906 0.336 . . . . 2.55 111.906 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.401 HG12 HD12 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -67.18 134.14 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 109.122 -0.695 . . . . 0.89 109.122 178.561 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.563 ' HG3' ' HD2' ' A' ' 69' ' ' LYS . 4.2 tp10 -57.73 153.11 14.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.149 0.5 . . . . 2.42 111.765 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -39.06 78.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.688 -0.687 . . . . 1.72 110.895 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.563 ' HD2' ' HG3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -70.56 -25.89 63.29 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.028 0.442 . . . . 1.97 110.696 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.484 ' HD2' ' HB3' ' A' ' 67' ' ' GLU . 31.4 m-85 -82.42 -35.6 27.46 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.547 -0.538 . . . . 1.29 109.547 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.729 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 6.5 ttp180 -65.62 -34.8 79.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.16 0.505 . . . . 2.55 109.922 177.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -68.58 0.28 Allowed 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 115.544 -0.753 . . . . 4.38 112.431 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -4.97 10.82 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.583 0.23 . . . . 1.44 111.492 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.729 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -55.54 -31.27 61.99 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 108.486 -0.931 . . . . 0.36 108.486 177.505 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.76 -26.92 15.66 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 114.556 -1.202 . . . . 1.72 112.004 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.496 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 52.2 m-85 -79.58 -8.89 59.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.084 0.468 . . . . 0.99 111.077 -179.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.706 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.9 OUTLIER -112.02 -15.76 13.22 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.109 -0.496 . . . . 0.27 110.51 178.749 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -32.19 70.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.146 -0.479 . . . . 1.37 112.014 -178.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.02 -33.7 65.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.037 0.446 . . . . 0.56 111.01 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.16 -46.81 14.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.955 -0.566 . . . . 0.53 111.812 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.549 HG23 HD23 ' A' ' 53' ' ' LEU . 90.2 mt -60.98 -33.35 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.981 0.419 . . . . 0.55 110.21 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.456 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -70.94 -24.19 62.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.489 0.662 . . . . 0.53 110.356 178.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -90.11 -39.52 12.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.805 -0.634 . . . . 1.4 110.757 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.586 HD13 HG23 ' A' ' 18' ' ' THR . 10.1 mt -57.35 -27.67 62.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.999 -0.546 . . . . 0.48 112.078 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.489 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -66.81 -28.78 68.64 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.029 0.443 . . . . 1.37 110.377 179.038 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -90.77 -35.0 15.11 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 109.341 -0.614 . . . . 3.07 109.341 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 84' ' ' LEU . 5.2 mmtm . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.185 -0.916 . . . . 2.78 111.069 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.451 -0.399 0 CA-C-O 121.494 0.664 . . . . 6.57 110.352 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.12 61.21 5.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.23 -0.896 . . . . 5.39 109.566 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -56.49 101.46 0.06 Allowed 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.441 -1.254 . . . . 3.15 111.635 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.442 ' ND2' ' HB2' ' A' ' 91' ' ' GLU . 3.3 t-20 -63.8 -29.03 70.27 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.135 -0.939 . . . . 2.24 109.495 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.48 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -61.51 -35.24 77.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.731 -0.668 . . . . 0.91 110.084 178.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -39.27 79.92 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.14 -0.689 . . . . 3.67 109.14 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.42 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -66.49 -34.07 77.11 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.887 -0.782 . . . . 2.93 108.887 178.287 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.949 HG23 HD13 ' A' ' 84' ' ' LEU . 36.2 m -66.09 -52.68 46.49 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.388 -0.824 . . . . 0.38 110.309 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -57.5 -39.92 77.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.75 -0.659 . . . . 0.61 110.786 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.77 -43.05 66.4 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.911 -0.586 . . . . 2.35 110.625 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -61.65 -33.21 73.55 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.235 0.54 . . . . 3.57 110.015 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.835 ' HB3' HD22 ' A' ' 46' ' ' LEU . 2.6 mt -71.36 -41.11 70.14 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.388 -0.824 . . . . 0.33 109.673 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -62.89 -41.42 99.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.345 0.593 . . . . 3.33 110.245 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -70.75 -36.74 73.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.666 -0.697 . . . . 2.36 111.003 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.557 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -73.75 -38.45 64.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.865 -0.607 . . . . 0.28 110.681 -178.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.876 ' HG ' ' HZ ' ' A' ' 77' ' ' PHE . 18.8 m -62.44 -39.06 92.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.691 0.282 . . . . 0.86 110.68 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mp -77.85 -29.45 50.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.162 0.506 . . . . 0.6 110.485 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -70.06 -60.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.879 -0.6 . . . . 1.31 110.921 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.5 mt -66.42 -31.76 72.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.023 0.44 . . . . 0.49 110.776 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.5 -34.97 91.06 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.553 -0.832 . . . . 0.65 113.014 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -87.56 -11.96 47.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.376 0.608 . . . . 1.94 110.094 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -90.39 -3.1 57.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.845 -0.616 . . . . 3.82 110.216 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.406 ' SD ' HG22 ' A' ' 37' ' ' VAL . 8.7 ttm -97.11 142.74 28.68 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.446 -0.576 . . . . 1.84 109.446 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 2.1 t -121.92 115.61 30.49 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 120.804 -0.358 . . . . 1.87 110.553 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 71.6 Cg_endo -78.11 158.34 93.84 Favored 'Cis proline' 0 C--O 1.237 0.45 0 C-N-CA 123.403 -1.499 . . . . 1.86 112.207 0.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -50.88 140.19 39.17 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.918 2.412 . . . . 1.42 112.731 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.406 HG22 ' SD ' ' A' ' 33' ' ' MET . 1.2 t -76.99 -41.22 31.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.237 -0.892 . . . . 2.02 111.846 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.79 -62.44 4.55 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 109.832 -1.307 . . . . 1.27 109.832 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -115.41 80.9 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.554 -0.906 . . . . 2.13 108.554 177.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.71 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 27.9 t80 -60.75 -42.87 98.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.632 -0.713 . . . . 0.52 110.256 -178.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.662 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 7.0 tpp -146.51 125.1 6.34 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 115.351 -0.841 . . . . 0.28 109.329 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.85 147.38 92.74 Favored 'Trans proline' 0 C--O 1.239 0.572 0 C-N-CA 122.736 2.291 . . . . 0.29 112.183 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.56 ' HA ' HD12 ' A' ' 46' ' ' LEU . 18.5 t70 -51.25 -39.97 57.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.347 -0.842 . . . . 1.51 111.746 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.584 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -64.1 -47.56 79.55 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.547 -0.297 . . . . 0.57 111.344 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.814 HD12 HG12 ' A' ' 66' ' ' VAL . 28.4 mm -64.73 -38.29 82.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.511 0.196 . . . . 0.34 110.727 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.835 HD22 ' HB3' ' A' ' 22' ' ' LEU . 26.6 mt -60.78 -35.75 77.24 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-O 120.896 0.379 . . . . 0.26 110.123 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -69.46 -55.53 9.99 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.815 0.672 . . . . 0.97 112.815 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -65.38 -41.16 94.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.65 0.262 . . . . 0.77 111.529 -178.498 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.457 ' SD ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -66.95 -30.32 70.42 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.672 -0.411 . . . . 1.07 110.857 -179.394 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.78 -30.05 62.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.702 0.286 . . . . 0.22 111.601 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.48 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -87.93 -42.73 12.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.13 0.49 . . . . 0.3 112.119 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mp -80.79 -34.37 13.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.79 -0.364 . . . . 0.37 110.826 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.585 HD13 ' HA ' ' A' ' 85' ' ' SER . 28.4 mt 49.81 68.35 3.55 Favored Pre-proline 0 N--CA 1.466 0.332 0 CA-C-N 115.528 -0.76 . . . . 0.41 111.513 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -79.37 119.02 4.05 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.926 2.417 . . . . 0.48 111.196 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.457 ' HG2' ' HA ' ' A' ' 82' ' ' ALA . 8.1 mtp -96.32 8.53 43.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.042 -0.526 . . . . 1.66 111.649 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -152.25 157.61 41.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.509 -0.314 . . . . 2.68 111.066 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -35.61 80.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.077 -0.511 . . . . 2.68 110.37 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -23.12 66.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.873 -0.603 . . . . 1.02 110.387 179.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.91 -30.6 16.8 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.03 -0.532 . . . . 0.62 110.494 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.97 -26.53 6.1 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.475 -0.784 . . . . 0.46 112.299 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.55 -21.01 59.67 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.308 0.485 . . . . 0.67 112.308 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.5 p -79.99 -1.99 42.05 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.948 0.404 . . . . 1.13 111.585 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 63' ' ' LEU . 13.6 mt -76.8 -3.43 38.29 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.147 0.499 . . . . 0.68 109.94 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.2 -70.99 3.01 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.764 -0.653 . . . . 1.61 112.671 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.81 98.83 3.01 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.319 0.859 . . . . 2.55 113.319 -178.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.814 HG12 HD12 ' A' ' 45' ' ' ILE . 5.2 m -116.47 121.67 68.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.792 -0.818 . . . . 0.89 108.792 176.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.444 ' HB3' ' HG2' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -55.07 151.35 9.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.933 -0.576 . . . . 2.42 110.588 -178.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.77 -33.14 72.51 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.798 -0.445 . . . . 1.72 109.798 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.444 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -70.55 -27.28 64.03 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.669 -0.696 . . . . 1.97 109.642 178.426 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -76.08 -34.58 59.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.658 -0.701 . . . . 1.29 109.213 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.757 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 3.5 ttp180 -64.58 -32.91 74.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.422 -0.808 . . . . 2.55 111.166 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.521 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 11.9 mtp-105 -63.66 -67.78 0.4 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.45 -0.341 . . . . 4.38 111.846 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -5.5 5.42 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.118 0.485 . . . . 1.44 111.888 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.757 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -58.1 -35.11 70.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.119 -0.946 . . . . 0.36 110.108 177.351 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 12.8 ptpt -55.34 -23.81 25.91 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.991 -1.004 . . . . 1.72 112.606 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.63 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 35.7 m-85 -83.58 -5.75 59.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.892 0.377 . . . . 0.99 111.581 -179.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.876 ' HZ ' ' HG ' ' A' ' 26' ' ' SER . 1.9 m-85 -107.67 -15.53 14.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.271 -0.422 . . . . 0.27 111.8 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -36.53 43.4 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.38 0.881 . . . . 1.37 113.38 -177.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.76 -32.36 73.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.757 0.313 . . . . 0.56 111.662 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.448 HG22 HD11 ' A' ' 84' ' ' LEU . 2.5 m -86.75 -43.32 12.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.57 -0.286 . . . . 0.53 111.078 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 77' ' ' PHE . 36.3 mt -59.81 -42.61 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 120.816 0.341 . . . . 0.55 110.732 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.457 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -62.13 -38.88 90.64 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.53 111.498 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.14 -46.98 66.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.842 -0.617 . . . . 1.4 111.409 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.949 HD13 HG23 ' A' ' 18' ' ' THR . 4.9 mt -69.89 -30.43 67.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.36 . . . . 0.48 111.532 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.585 ' HA ' HD13 ' A' ' 53' ' ' LEU . 8.2 t -71.5 -29.69 65.1 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.433 0.635 . . . . 1.37 109.571 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.53 -39.07 32.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.439 -0.8 . . . . 3.07 109.929 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -75.73 -13.85 60.32 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.861 -0.609 . . . . 2.78 111.509 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -59.16 -31.74 69.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.981 0.42 . . . . 3.01 110.963 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.41 10.72 38.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.12 -0.491 . . . . 3.17 111.359 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.91 -43.56 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.305 -0.407 . . . . 3.96 111.094 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.442 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . 18.9 mt-10 . . . . . 0 C--O 1.244 0.783 0 CA-C-O 118.577 -0.725 . . . . 6.44 110.056 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--O 1.233 0.185 0 N-CA-C 109.666 -0.494 . . . . 6.57 109.666 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 40.28 55.23 2.78 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 123.99 0.807 . . . . 5.39 112.318 178.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -82.31 54.43 2.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.086 -0.506 . . . . 3.15 111.674 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.82 -12.1 59.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.274 0.559 . . . . 2.24 109.531 179.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.704 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -55.99 -29.69 60.69 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.253 -0.885 . . . . 0.91 111.008 178.52 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.2 ttp85 -63.16 -38.81 92.64 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.591 -0.522 . . . . 3.67 109.591 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -35.47 80.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.869 -0.605 . . . . 2.93 109.832 178.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.434 HG23 HD13 ' A' ' 84' ' ' LEU . 2.3 m -67.25 -49.16 65.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.468 -0.787 . . . . 0.38 110.224 178.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -67.66 -39.81 84.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.816 -0.629 . . . . 0.61 111.255 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -67.05 -36.87 83.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.47 -0.332 . . . . 2.35 110.69 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.499 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -68.2 -31.3 70.72 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.385 -0.598 . . . . 3.57 109.385 179.162 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.983 ' HB3' HD22 ' A' ' 46' ' ' LEU . 6.9 mt -75.59 -37.47 59.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.225 -0.898 . . . . 0.33 110.086 178.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -69.51 -35.41 75.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.205 0.526 . . . . 3.33 110.367 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -37.89 58.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.796 -0.638 . . . . 2.36 110.062 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.661 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -72.25 -35.4 68.79 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.552 -0.536 . . . . 0.28 109.552 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.538 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 43.4 t -66.52 -40.83 89.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.86 111.215 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 mp -76.54 -30.87 57.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.783 0.325 . . . . 0.6 111.166 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -76.32 -54.44 6.77 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.138 -0.483 . . . . 1.31 110.545 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.406 ' HG ' HD22 ' A' ' 25' ' ' LEU . 24.2 mt -61.35 -40.29 93.71 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 120.866 0.365 . . . . 0.49 110.341 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.3 -29.15 70.6 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.88 -0.676 . . . . 0.65 112.905 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -95.82 -13.09 24.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 117.258 0.529 . . . . 1.94 110.702 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -94.2 -5.88 46.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.519 0.676 . . . . 3.82 110.344 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 17.1 mtp -93.96 154.68 17.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.395 -0.821 . . . . 1.84 109.999 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 47.8 t -121.57 115.86 30.85 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.643 -0.502 . . . . 1.87 109.643 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 6.5 Cg_endo -85.93 156.61 56.86 Favored 'Cis proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.446 -1.481 . . . . 1.86 112.084 0.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_exo -46.74 117.83 2.32 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.901 2.401 . . . . 1.42 112.28 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 t -71.39 -34.48 53.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.012 -0.995 . . . . 2.02 111.81 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.17 -68.15 3.61 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.676 -0.969 . . . . 1.27 110.676 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -111.55 81.65 1.48 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.479 -0.934 . . . . 2.13 108.479 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.659 ' HZ ' ' HB2' ' A' ' 76' ' ' TYR . 37.3 t80 -56.89 -48.81 77.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.247 -0.888 . . . . 0.52 110.799 -178.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.732 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 2.2 tpp -136.38 122.05 13.45 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.35 -0.611 . . . . 0.28 109.35 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -56.73 144.16 87.65 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.775 2.316 . . . . 0.29 112.191 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -39.32 63.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.824 -0.626 . . . . 1.51 111.89 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.626 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -63.41 -40.65 97.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.385 -0.37 . . . . 0.57 111.263 179.866 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.2 mm -71.71 -36.63 59.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.26 -0.427 . . . . 0.34 110.777 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.983 HD22 ' HB3' ' A' ' 22' ' ' LEU . 76.1 mt -63.36 -40.46 97.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.302 -0.408 . . . . 0.26 110.807 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -64.01 -48.24 77.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.97 111.629 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.626 ' HG2' ' O ' ' A' ' 44' ' ' SER . 12.9 ptpt -71.74 -40.67 69.23 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.797 -0.361 . . . . 0.77 111.837 -179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -29.01 68.51 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.996 -0.282 . . . . 1.07 111.017 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.07 -32.89 26.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.835 0.35 . . . . 0.22 111.155 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.704 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -76.92 -37.18 55.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.184 -0.462 . . . . 0.3 111.485 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.2 mp -94.95 -35.21 5.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.98 -0.554 . . . . 0.37 111.209 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.564 HD13 ' HA ' ' A' ' 85' ' ' SER . 18.6 mt 50.61 72.38 1.25 Allowed Pre-proline 0 N--CA 1.465 0.319 0 O-C-N 123.583 0.552 . . . . 0.41 110.813 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.454 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 11.8 Cg_endo -91.81 106.74 0.25 Allowed 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.575 2.85 . . . . 0.48 113.373 -178.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.44 ' HG2' HG22 ' A' ' 81' ' ' ILE . 34.9 mmm -99.86 30.7 3.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.635 0.255 . . . . 1.66 111.069 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.6 146.2 22.06 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.217 -0.66 . . . . 2.68 109.217 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -54.16 -44.65 71.65 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 113.428 0.899 . . . . 2.68 113.428 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.54 -33.94 75.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.366 0.603 . . . . 1.02 111.32 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.97 -30.34 50.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.002 -0.544 . . . . 0.62 110.906 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.477 ' HD1' ' HA ' ' A' ' 60' ' ' PHE . 0.1 OUTLIER -59.36 -25.14 63.98 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.821 0.343 . . . . 0.46 111.91 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.04 -24.88 64.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.54 . . . . 0.67 112.001 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.6 p -70.02 -13.66 62.33 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.085 0.469 . . . . 1.13 111.491 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.487 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 49.2 mt -80.53 11.2 3.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.154 -0.476 . . . . 0.68 110.537 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.8 38.08 8.24 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 109.795 -1.322 . . . . 1.61 109.795 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.0 p 49.35 78.49 0.09 Allowed 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.743 0.817 . . . . 2.55 111.306 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.527 HG21 ' HE2' ' A' ' 74' ' ' PHE . 10.2 m -59.89 133.05 25.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.792 -0.64 . . . . 0.89 111.005 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' HB3' ' HG2' ' A' ' 69' ' ' LYS . 2.3 tt0 -68.17 162.43 24.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.274 -0.875 . . . . 2.42 110.342 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.427 ' O ' ' HD2' ' A' ' 72' ' ' ARG . 5.0 t70 -59.69 -36.12 75.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.711 -0.222 . . . . 1.72 111.41 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -59.03 -26.63 64.74 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.856 0.36 . . . . 1.97 110.654 179.391 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.422 ' O ' ' HD3' ' A' ' 73' ' ' ARG . 96.6 m-85 -84.49 -31.42 24.51 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.506 -0.553 . . . . 1.29 109.506 178.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.543 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -67.95 -40.09 83.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.252 -0.885 . . . . 2.55 111.576 179.588 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.427 ' HD2' ' O ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -56.3 -44.65 80.09 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.606 0.595 . . . . 4.38 112.606 -178.275 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.422 ' HD3' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -93.33 -4.32 51.85 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.464 -0.494 . . . . 1.44 109.795 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.543 ' HB2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -58.79 -35.28 72.56 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.807 -0.633 . . . . 0.36 110.979 179.208 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.738 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -59.04 -23.16 61.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.631 -0.713 . . . . 1.72 111.992 -179.574 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.659 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 74.0 m-85 -78.02 -6.93 56.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.885 0.374 . . . . 0.99 110.894 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.732 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.8 OUTLIER -113.43 -17.6 12.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.09 0.471 . . . . 0.27 110.159 179.141 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.738 ' HD3' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -54.65 -29.3 52.05 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.007 0.743 . . . . 1.37 113.007 -178.703 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.46 -34.36 70.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.737 0.303 . . . . 0.56 110.591 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.67 -39.74 15.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.715 -0.221 . . . . 0.53 111.019 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 77' ' ' PHE . 63.4 mt -58.45 -43.09 85.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.257 -0.429 . . . . 0.55 110.082 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.65 88.02 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.779 -0.646 . . . . 0.53 111.849 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -76.63 -46.48 25.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.245 -0.434 . . . . 1.4 111.62 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.434 HD13 HG23 ' A' ' 18' ' ' THR . 21.5 mt -61.92 -30.71 71.08 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 112.271 0.471 . . . . 0.48 112.271 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.564 ' HA ' HD13 ' A' ' 53' ' ' LEU . 2.5 p -74.08 -27.49 60.93 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 120.844 0.354 . . . . 1.37 110.63 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -97.96 7.33 46.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 3.07 110.84 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.09 1.87 3.57 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.421 -0.354 . . . . 2.78 111.44 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.463 ' HE ' ' HB3' ' A' ' 88' ' ' ARG . 1.3 ttp180 -61.81 122.03 14.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 3.01 110.96 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m 68.74 -56.9 0.52 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.21 1.004 . . . . 3.17 111.776 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.42 -56.41 0.31 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.801 -0.444 . . . . 3.96 109.801 179.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 . . . . . 0 C--O 1.242 0.7 0 CA-C-N 115.507 -0.77 . . . . 6.44 109.401 179.579 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.21 0.529 . . . . 6.57 110.559 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.8 mt -91.2 42.92 1.12 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.208 0.528 . . . . 5.39 111.431 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.613 HD21 ' HD3' ' A' ' 16' ' ' ARG . 10.8 t30 -86.51 37.3 0.73 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.462 -0.79 . . . . 3.15 109.849 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -67.64 -44.49 77.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.248 -0.887 . . . . 2.24 112.241 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -40.25 93.62 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 121.125 -0.23 . . . . 0.91 111.21 -178.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.613 ' HD3' HD21 ' A' ' 13' ' ' ASN . 0.0 OUTLIER -67.0 -39.16 87.03 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.575 -0.528 . . . . 3.67 109.575 178.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -33.4 75.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.904 -0.589 . . . . 2.93 110.108 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.514 HG21 HD21 ' A' ' 53' ' ' LEU . 21.9 m -63.11 -53.29 55.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.514 -0.766 . . . . 0.38 110.074 178.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.436 ' CE1' ' HG3' ' A' ' 47' ' ' LYS . 44.6 t80 -63.14 -41.55 99.32 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.975 0.417 . . . . 0.61 110.543 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -64.41 -39.4 93.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.259 -0.428 . . . . 2.35 111.403 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -69.31 -34.45 74.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.365 . . . . 3.57 110.691 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.651 ' HB3' HD22 ' A' ' 46' ' ' LEU . 6.9 mt -72.02 -34.44 68.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.795 -0.639 . . . . 0.33 109.568 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -72.62 -36.43 68.06 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.802 -0.635 . . . . 3.33 109.985 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.05 -37.71 78.7 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.026 -0.731 . . . . 2.36 109.026 178.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.577 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -69.1 -37.71 78.57 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.385 -0.825 . . . . 0.28 109.151 178.832 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.418 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.4 OUTLIER -64.76 -36.29 83.84 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.495 -0.775 . . . . 0.86 111.377 179.632 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 mp -74.16 -30.49 62.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.185 0.517 . . . . 0.6 110.215 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -77.7 -59.61 2.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.894 -0.594 . . . . 1.31 111.345 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.413 ' HG ' HD22 ' A' ' 25' ' ' LEU . 53.1 mt -62.54 -33.53 75.1 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.01 0.433 . . . . 0.49 111.066 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.99 -44.38 97.48 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.885 -0.674 . . . . 0.65 113.857 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -83.33 -13.37 55.19 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.224 0.535 . . . . 1.94 110.99 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -90.28 -6.15 55.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.302 0.572 . . . . 3.82 110.743 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.3 ttm -96.76 152.49 18.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.47 -0.786 . . . . 1.84 109.208 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 t -132.1 120.68 17.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.351 -0.24 . . . . 1.87 110.351 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -69.3 147.2 83.2 Favored 'Cis proline' 0 C--O 1.234 0.312 0 C-N-CA 123.8 -1.333 . . . . 1.86 111.451 -0.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.82 130.12 38.67 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.33 2.02 . . . . 1.42 112.787 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 37' ' ' VAL . 0.9 OUTLIER -75.74 -21.14 15.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.413 -0.812 . . . . 2.02 110.446 -179.605 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.1 -74.26 1.66 Allowed Glycine 0 CA--C 1.508 -0.372 0 N-CA-C 109.452 -1.459 . . . . 1.27 109.452 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -111.87 75.2 0.9 Allowed 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.048 -1.093 . . . . 2.13 108.048 176.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.546 ' HZ ' ' HB2' ' A' ' 76' ' ' TYR . 13.4 t80 -22.38 -72.49 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 O-C-N 124.682 1.239 . . . . 0.52 111.459 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.883 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 8.3 tpp -108.89 133.65 20.62 Favored Pre-proline 0 N--CA 1.443 -0.8 0 N-CA-C 109.183 -0.673 . . . . 0.28 109.183 177.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.72 146.45 92.19 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.193 1.929 . . . . 0.29 112.175 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.33 -39.28 56.63 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.939 -0.573 . . . . 1.51 111.699 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.52 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -63.51 -47.0 83.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.799 -0.637 . . . . 0.57 111.356 -179.679 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.532 ' O ' ' HB3' ' A' ' 49' ' ' MET . 1.4 mm -67.24 -38.75 81.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.344 -0.389 . . . . 0.34 111.143 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.834 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 60.8 mt -60.87 -37.49 82.31 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.784 0.326 . . . . 0.26 111.087 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.436 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 12.7 mtmt -69.26 -46.33 67.52 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.464 0.542 . . . . 0.97 112.464 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 44' ' ' SER . 7.9 ptpt -69.5 -40.17 77.16 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.094 0.474 . . . . 0.77 110.634 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.834 ' SD ' ' HA ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -65.69 -31.69 72.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.786 -0.643 . . . . 1.07 110.704 179.857 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.421 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -80.5 -33.24 36.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.641 0.258 . . . . 0.22 111.362 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.0 -43.59 29.08 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.067 -0.253 . . . . 0.3 111.493 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 mp -84.57 -34.58 9.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.441 -0.345 . . . . 0.37 110.498 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.726 HD13 ' HA ' ' A' ' 85' ' ' SER . 15.5 mt 52.89 72.09 1.26 Allowed Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.75 -0.659 . . . . 0.41 111.429 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.81 106.76 2.19 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 123.081 2.521 . . . . 0.48 112.31 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.6 mtp -82.76 -29.14 29.9 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.664 -0.698 . . . . 1.66 110.851 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -120.76 169.4 10.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.063 -0.517 . . . . 2.68 110.974 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.22 -28.77 68.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.048 -0.524 . . . . 2.68 110.679 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -35.57 77.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.451 0.643 . . . . 1.02 109.44 178.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.78 -26.46 62.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.518 -0.764 . . . . 0.62 110.656 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.666 ' HE2' ' HE3' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -64.17 -25.01 67.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.677 -0.692 . . . . 0.46 111.278 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.86 -25.86 68.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.434 -0.348 . . . . 0.67 111.516 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.99 0.47 31.48 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.751 -0.38 . . . . 1.13 111.698 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' A' ' 49' ' ' MET . 5.7 mt -83.3 -18.86 37.56 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.475 0.655 . . . . 0.68 109.299 178.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.08 -102.42 0.93 Allowed Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 115.283 -0.872 . . . . 1.61 111.035 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.5 106.53 4.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.651 0.225 . . . . 2.55 111.3 179.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.494 HG11 ' HE2' ' A' ' 74' ' ' PHE . 16.7 m -109.95 122.46 64.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.729 -0.471 . . . . 0.89 109.729 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -68.28 168.18 12.92 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.168 -0.469 . . . . 2.42 110.838 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -54.5 -38.43 66.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.751 -0.659 . . . . 1.72 111.104 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.69 -27.7 69.39 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.895 0.379 . . . . 1.97 111.013 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.488 ' O ' ' HD2' ' A' ' 73' ' ' ARG . 73.9 m-85 -81.36 -37.6 27.98 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.231 -0.44 . . . . 1.29 110.216 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.449 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 14.2 mtt85 -69.5 -34.94 75.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.266 0.555 . . . . 2.55 109.842 178.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -34.25 77.55 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.466 -0.788 . . . . 4.38 111.718 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.488 ' HD2' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -99.07 -4.13 33.1 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.681 0.753 . . . . 1.44 110.109 179.413 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.648 ' HE1' ' HE3' ' A' ' 49' ' ' MET . 0.1 OUTLIER -68.28 -34.9 77.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.366 -0.833 . . . . 0.36 110.648 179.094 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.499 ' HA ' ' HG3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -59.5 -26.06 64.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.951 -0.568 . . . . 1.72 111.313 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.546 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 28.5 m-85 -76.81 -7.79 56.11 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.304 0.573 . . . . 0.99 110.241 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.883 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.3 OUTLIER -111.79 -18.48 12.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.306 -0.861 . . . . 0.27 111.059 179.32 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.666 ' HE3' ' HE2' ' A' ' 60' ' ' PHE . 2.7 mttp -57.59 -32.2 66.94 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.323 0.86 . . . . 1.37 113.323 -177.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.3 -31.11 65.41 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.783 -0.367 . . . . 0.56 111.665 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 m -90.48 -40.0 12.27 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.906 -0.588 . . . . 0.53 111.362 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 77' ' ' PHE . 50.0 mt -59.41 -43.62 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.777 0.323 . . . . 0.55 110.365 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.98 -34.2 77.56 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.223 -0.444 . . . . 0.53 111.458 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -70.53 -40.63 73.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.348 -0.387 . . . . 1.4 110.486 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.496 HD13 HG23 ' A' ' 18' ' ' THR . 13.2 mt -70.27 -31.43 68.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.403 0.52 . . . . 0.48 112.403 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.726 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -73.16 -35.09 66.38 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.796 0.332 . . . . 1.37 111.34 -179.104 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -71.55 -38.32 71.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.338 -0.392 . . . . 3.07 110.063 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -27.23 61.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.08 -0.509 . . . . 2.78 110.699 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.426 ' HD3' HD12 ' A' ' 53' ' ' LEU . 5.1 ttp180 -80.75 -6.8 58.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.24 -0.436 . . . . 3.01 111.245 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.6 m -87.81 -13.22 42.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.273 0.559 . . . . 3.17 109.685 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.468 ' HB2' ' H ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -118.38 -132.27 0.31 Allowed 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.647 -0.706 . . . . 3.96 110.499 179.164 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.468 ' H ' ' HB2' ' A' ' 90' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 117.828 -1.082 . . . . 6.44 108.88 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.337 0.589 . . . . 6.57 111.171 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.4 mt -72.93 -8.54 56.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.584 -0.735 . . . . 5.39 111.252 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.52 13.42 12.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.855 -0.611 . . . . 3.15 110.03 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -60.67 -18.7 55.49 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.707 -0.679 . . . . 2.24 110.967 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -57.98 -31.18 66.67 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.182 0.515 . . . . 0.91 110.331 179.806 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' HE ' ' CD ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -66.3 -38.74 88.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.617 -0.719 . . . . 3.67 110.177 179.195 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.42 -36.0 80.39 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.064 -0.516 . . . . 2.93 109.826 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.592 HG23 HD13 ' A' ' 84' ' ' LEU . 4.3 m -60.46 -51.95 67.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.732 -0.667 . . . . 0.38 110.94 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -62.24 -42.03 98.96 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.961 -0.563 . . . . 0.61 110.464 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' CD ' ' HE ' ' A' ' 16' ' ' ARG . 9.7 mt-10 -62.46 -46.81 86.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 2.35 110.289 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.516 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -61.19 -35.19 76.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.7 -0.682 . . . . 3.57 111.258 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.771 ' HB3' HD22 ' A' ' 46' ' ' LEU . 3.3 mt -73.01 -36.94 67.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.557 -0.292 . . . . 0.33 111.038 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -71.63 -38.99 70.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.072 0.463 . . . . 3.33 110.053 179.404 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.86 -34.02 73.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.908 -0.587 . . . . 2.36 110.096 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.693 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -75.8 -32.26 59.79 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.336 -0.616 . . . . 0.28 109.336 179.103 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.756 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -64.4 -36.68 84.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.432 0.634 . . . . 0.86 109.649 179.138 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mp -77.7 -29.9 51.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.831 -0.622 . . . . 0.6 110.809 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -76.84 -60.27 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 1.31 111.124 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.517 ' CD1' HD13 ' A' ' 25' ' ' LEU . 53.5 mt -59.81 -35.11 74.03 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 120.589 0.233 . . . . 0.49 111.097 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.25 -34.52 84.87 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.878 -0.677 . . . . 0.65 112.84 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -95.68 -16.46 21.99 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.268 0.556 . . . . 1.94 110.005 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.35 -8.21 59.45 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.821 -0.627 . . . . 3.82 109.499 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.41 144.29 26.47 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.991 -1.004 . . . . 1.84 109.393 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.3 t -131.31 110.87 15.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.034 -0.728 . . . . 1.87 109.034 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 5.9 Cg_exo -73.89 152.24 98.01 Favored 'Cis proline' 0 C--N 1.344 0.339 0 C-N-CA 123.146 -1.606 . . . . 1.86 112.7 0.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' PRO . 53.6 Cg_exo -55.58 144.54 74.06 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.202 2.602 . . . . 1.42 112.685 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.0 t -85.98 -31.06 6.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.557 -0.747 . . . . 2.02 111.028 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.12 -79.38 1.72 Allowed Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 110.011 -1.236 . . . . 1.27 110.011 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -102.04 87.1 3.01 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.925 -1.139 . . . . 2.13 107.925 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.756 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 5.0 t80 -57.78 -86.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.48 -0.782 . . . . 0.52 110.944 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.741 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 23.0 tpp -111.14 135.5 20.9 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 109.884 -0.413 . . . . 0.28 109.884 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.584 ' HG2' ' HE2' ' A' ' 70' ' ' TYR . 19.1 Cg_exo -65.75 147.92 86.18 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.603 2.202 . . . . 0.29 111.525 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.464 ' HA ' HD12 ' A' ' 46' ' ' LEU . 31.1 t70 -52.93 -38.27 61.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.649 -0.705 . . . . 1.51 111.417 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -55.18 37.38 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.666 -0.697 . . . . 0.57 111.316 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.407 ' HA ' ' HG3' ' A' ' 48' ' ' LYS . 8.9 mm -63.26 -38.47 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.535 -0.302 . . . . 0.34 111.183 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.835 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 89.0 mt -56.61 -35.93 68.85 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.26 110.874 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -75.31 -44.19 46.8 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.893 0.701 . . . . 0.97 112.893 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HB2' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -70.56 -40.79 73.15 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 119.888 -0.725 . . . . 0.77 110.049 179.698 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.835 ' SD ' ' HA ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -65.84 -29.51 69.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.641 -0.709 . . . . 1.07 110.643 179.37 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.24 -29.34 60.2 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.965 0.412 . . . . 0.22 110.914 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.55 ' HA ' HD21 ' A' ' 15' ' ' LEU . . . -86.33 -44.91 11.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.291 -0.413 . . . . 0.3 111.91 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -80.82 -36.33 15.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.695 0.284 . . . . 0.37 111.101 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.583 HD13 ' HA ' ' A' ' 85' ' ' SER . 12.4 mt 55.64 68.93 2.13 Favored Pre-proline 0 C--O 1.236 0.347 0 CA-C-O 121.309 0.576 . . . . 0.41 110.083 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -80.38 113.19 2.86 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 123.395 2.73 . . . . 0.48 113.326 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.51 ' HG2' ' HA ' ' A' ' 82' ' ' ALA . 40.8 mtp -92.68 -23.32 19.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.096 -0.502 . . . . 1.66 111.075 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -119.13 164.12 16.03 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.246 -0.433 . . . . 2.68 110.891 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.97 -33.12 73.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.475 -0.33 . . . . 2.68 111.672 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -38.16 89.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.238 0.542 . . . . 1.02 110.508 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.82 -26.83 63.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.375 -0.829 . . . . 0.62 109.967 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.427 ' HD1' ' HA ' ' A' ' 60' ' ' PHE . 1.2 m-30 -67.57 -23.81 65.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.741 -0.663 . . . . 0.46 110.653 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.73 -27.03 68.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.449 -0.341 . . . . 0.67 110.955 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.26 -4.15 54.64 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.384 -0.371 . . . . 1.13 111.821 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.428 HD22 ' HB2' ' A' ' 48' ' ' LYS . 1.4 mt -79.02 -11.76 60.01 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.725 0.774 . . . . 0.68 108.988 177.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.42 -99.39 0.79 Allowed Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 110.326 -1.11 . . . . 1.61 110.326 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -153.72 75.58 1.04 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.055 -0.35 . . . . 2.55 110.055 178.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.463 HG11 ' HE2' ' A' ' 74' ' ' PHE . 13.6 m -69.8 138.18 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.629 -0.428 . . . . 0.89 110.331 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.496 ' HB2' ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -70.24 159.92 33.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.226 -0.443 . . . . 2.42 110.095 179.812 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.32 -32.4 71.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.97 -0.559 . . . . 1.72 110.621 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -28.77 67.15 Favored 'General case' 0 C--O 1.23 0.077 0 N-CA-C 109.679 -0.489 . . . . 1.97 109.679 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.584 ' HE2' ' HG2' ' A' ' 42' ' ' PRO . 3.2 m-85 -75.12 -33.37 61.56 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 109.008 -0.738 . . . . 1.29 109.008 177.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 -64.07 -31.75 73.05 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.401 -0.818 . . . . 2.55 110.92 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.721 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -63.22 -65.94 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.109 -0.496 . . . . 4.38 111.589 -179.838 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.679 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -69.26 -4.06 16.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.18 0.514 . . . . 1.44 110.645 179.809 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.463 ' HE2' HG11 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -68.31 -38.86 82.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.782 -0.645 . . . . 0.36 110.98 178.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.721 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 6.1 pttt -63.89 -24.81 67.88 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.941 -0.572 . . . . 1.72 111.372 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.679 ' CD2' ' HA ' ' A' ' 73' ' ' ARG . 12.0 m-85 -77.92 -10.63 59.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.016 0.436 . . . . 0.99 110.198 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.741 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.1 OUTLIER -101.46 -17.45 16.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.4 -0.818 . . . . 0.27 110.375 179.456 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -29.61 67.55 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.582 -0.736 . . . . 1.37 112.238 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.2 77.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.117 0.484 . . . . 0.56 110.712 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.97 -43.12 11.98 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.066 -0.516 . . . . 0.53 111.845 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 77' ' ' PHE . 56.5 mt -59.3 -39.02 77.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.092 -0.504 . . . . 0.55 110.683 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.51 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -65.66 -44.22 87.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.525 -0.307 . . . . 0.53 111.206 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.46 -44.99 89.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.092 0.472 . . . . 1.4 110.523 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.592 HD13 HG23 ' A' ' 18' ' ' THR . 5.7 mt -68.51 -33.32 73.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.128 -0.487 . . . . 0.48 111.356 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.583 ' HA ' HD13 ' A' ' 53' ' ' LEU . 3.3 t -73.24 -25.61 60.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.419 0.628 . . . . 1.37 109.983 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -77.34 -54.73 6.1 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.487 -0.778 . . . . 3.07 110.573 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.12 -22.71 66.97 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.539 0.94 . . . . 2.78 113.539 -178.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.577 ' HG2' ' HA ' ' A' ' 85' ' ' SER . 0.0 OUTLIER -76.54 -17.17 59.39 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.058 0.392 . . . . 3.01 112.058 -179.544 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.73 -46.3 0.8 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.732 0.642 . . . . 3.17 112.732 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 38.2 m -83.81 50.71 1.87 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.116 0.484 . . . . 3.96 111.796 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.886 0 N-CA-C 108.576 -0.898 . . . . 6.44 108.576 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.492 0 CA-C-O 120.489 0.185 . . . . 6.57 111.289 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.8 -33.8 76.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.528 0.68 . . . . 5.39 110.163 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -101.0 89.84 3.97 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.323 -0.853 . . . . 3.15 111.632 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.05 -24.97 65.14 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.697 -0.853 . . . . 2.24 108.697 178.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.878 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -56.41 -26.77 54.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.431 -1.258 . . . . 0.91 110.592 178.704 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.4 -39.29 79.3 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.699 -0.682 . . . . 3.67 110.36 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -35.61 70.98 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.317 -0.401 . . . . 2.93 110.23 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.72 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.5 m -60.83 -52.12 66.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.819 -0.628 . . . . 0.38 109.843 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -64.44 -38.77 92.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.032 -0.986 . . . . 0.61 110.662 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -66.5 -44.92 81.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.545 -0.298 . . . . 2.35 111.369 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -32.73 74.2 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.974 0.416 . . . . 3.57 110.189 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.721 ' HB3' HD22 ' A' ' 46' ' ' LEU . 5.3 mt -72.03 -36.41 69.65 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.657 -0.497 . . . . 0.33 109.657 178.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -69.71 -37.48 76.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.412 -0.588 . . . . 3.33 109.412 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -70.66 -37.34 73.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.305 -0.861 . . . . 2.36 110.42 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.556 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -75.89 -37.03 59.26 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.212 -0.662 . . . . 0.28 109.212 -179.786 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.625 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -63.97 -32.21 73.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.523 -0.762 . . . . 0.86 110.349 179.209 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.38 -33.02 49.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.006 -0.543 . . . . 0.6 110.195 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -73.78 -60.2 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.772 -0.649 . . . . 1.31 111.447 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.546 HD11 HD13 ' A' ' 25' ' ' LEU . 9.0 mt -61.61 -36.48 80.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.779 0.323 . . . . 0.49 110.808 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.91 -27.98 72.87 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.777 -0.725 . . . . 0.65 113.214 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.99 -14.06 19.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.213 0.53 . . . . 1.94 110.37 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -90.18 -4.98 56.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.16 0.505 . . . . 3.82 110.85 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.9 ttp -93.48 160.4 14.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.0 -0.545 . . . . 1.84 110.556 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 60.4 t -127.84 112.86 20.49 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.474 -0.33 . . . . 1.87 110.642 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 71.9 Cg_endo -80.13 160.88 85.68 Favored 'Cis proline' 0 C--O 1.237 0.453 0 C-N-CA 122.945 -1.69 . . . . 1.86 111.722 -0.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -52.54 126.61 21.39 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.329 2.02 . . . . 1.42 111.726 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.422 HG23 ' H ' ' A' ' 37' ' ' VAL . 2.4 t -69.07 -43.81 81.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.334 -0.848 . . . . 2.02 111.12 -179.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.3 -67.74 3.57 Favored Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 110.677 -0.969 . . . . 1.27 110.677 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -102.87 60.34 0.79 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.155 0.502 . . . . 2.13 109.738 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.625 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 9.4 t80 -38.5 -79.96 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.86 -1.063 . . . . 0.52 111.607 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.629 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -108.35 126.62 29.19 Favored Pre-proline 0 N--CA 1.442 -0.834 0 N-CA-C 108.802 -0.814 . . . . 0.28 108.802 178.51 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.434 ' HG2' ' HE1' ' A' ' 70' ' ' TYR . 37.5 Cg_exo -58.48 144.68 96.58 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.719 2.279 . . . . 0.29 112.539 -179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.41 -38.84 60.01 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.788 -0.642 . . . . 1.51 111.184 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.538 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -62.3 -43.21 99.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.57 111.111 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.554 ' O ' ' HB3' ' A' ' 49' ' ' MET . 16.2 mm -72.06 -37.18 59.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.34 110.978 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.721 HD22 ' HB3' ' A' ' 22' ' ' LEU . 45.8 mt -64.16 -37.17 86.51 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.028 0.442 . . . . 0.26 110.707 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -67.44 -50.63 58.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.025 -0.534 . . . . 0.97 112.027 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -69.69 -39.87 76.67 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.612 -0.435 . . . . 0.77 111.621 -179.117 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.554 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -65.48 -31.13 72.04 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.662 -0.245 . . . . 1.07 110.86 -179.348 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.98 -30.4 55.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.989 0.423 . . . . 0.22 110.734 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.878 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -79.93 -40.62 27.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.882 -0.599 . . . . 0.3 112.093 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.433 HG12 ' HB ' ' A' ' 62' ' ' THR . 1.1 mp -87.49 -35.78 8.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.547 -0.297 . . . . 0.37 111.38 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.631 HD13 ' HA ' ' A' ' 85' ' ' SER . 10.5 mt 52.7 69.26 2.46 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 115.81 -0.632 . . . . 0.41 111.328 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.56 110.67 2.68 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.741 2.961 . . . . 0.48 112.371 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 22.1 mtp -77.2 -18.37 57.79 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.393 0.516 . . . . 1.66 112.393 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -142.08 172.76 12.24 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.752 -0.379 . . . . 2.68 111.294 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.453 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 1.1 t70 -58.97 -39.36 81.49 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.914 -0.585 . . . . 2.68 111.98 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -39.38 90.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.038 0.447 . . . . 1.02 110.47 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.23 -25.89 66.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.808 -0.633 . . . . 0.62 110.337 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.453 ' HD2' ' HA ' ' A' ' 57' ' ' ASP . 3.8 m-85 -64.97 -21.97 66.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.589 -0.732 . . . . 0.46 111.469 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.75 -27.0 48.51 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.608 0.596 . . . . 0.67 112.608 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.433 ' HB ' HG12 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -77.14 -0.72 25.96 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.202 0.445 . . . . 1.13 112.202 179.816 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.0 mt -87.4 9.39 20.83 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.86 -0.792 . . . . 0.68 108.86 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.58 -78.71 1.89 Allowed Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 110.974 -0.85 . . . . 1.61 110.974 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.89 111.92 1.0 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.654 0.264 . . . . 2.55 110.712 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.2 m -107.71 114.85 47.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.121 0.486 . . . . 0.89 110.014 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.528 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 12.1 mt-10 -59.16 161.41 5.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.803 -0.635 . . . . 2.42 111.47 -178.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -36.5 70.12 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.049 0.452 . . . . 1.72 109.849 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.475 ' HA ' ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -61.97 -26.01 67.96 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.929 -0.578 . . . . 1.97 110.85 179.074 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.528 ' CD2' ' HB2' ' A' ' 67' ' ' GLU . 57.1 m-85 -87.12 -33.4 19.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.372 -0.376 . . . . 1.29 110.992 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.494 ' O ' ' HB2' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -63.93 -34.16 77.35 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-N 116.236 -0.438 . . . . 2.55 111.24 -179.697 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.565 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 6.8 mtt180 -59.55 -40.75 88.25 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 120.748 -0.381 . . . . 4.38 110.833 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.57 ' HA ' ' HD2' ' A' ' 76' ' ' TYR . 3.9 mpt_? -80.73 -7.18 59.28 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 120.367 -0.533 . . . . 1.44 110.484 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.494 ' HB2' ' O ' ' A' ' 71' ' ' ARG . 0.3 OUTLIER -76.52 -34.35 58.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.519 -0.764 . . . . 0.36 110.459 179.494 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 13.4 pttt -63.77 -22.84 67.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 1.72 110.228 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.57 ' HD2' ' HA ' ' A' ' 73' ' ' ARG . 44.1 m-85 -87.54 -7.15 57.91 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.286 -0.415 . . . . 0.99 110.774 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.629 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 3.0 m-85 -113.89 -16.05 12.27 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.378 0.51 . . . . 0.27 112.378 -178.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.445 ' HA ' HD12 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -51.24 -35.36 36.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.161 0.8 . . . . 1.37 113.161 -177.399 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.6 -35.67 77.66 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.455 0.645 . . . . 0.56 110.486 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.55 -43.71 30.98 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.603 -0.726 . . . . 0.53 111.26 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 77' ' ' PHE . 12.3 mt -60.65 -37.97 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 116.058 -0.519 . . . . 0.55 110.16 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.83 -42.58 85.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.009 -0.542 . . . . 0.53 111.008 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.1 -51.45 63.92 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.736 -0.665 . . . . 1.4 110.842 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.72 HD22 ' HA ' ' A' ' 18' ' ' THR . 9.6 mt -65.64 -28.33 69.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.724 0.268 . . . . 0.48 111.724 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.631 ' HA ' HD13 ' A' ' 53' ' ' LEU . 2.7 t -73.18 -31.14 64.03 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.521 -0.548 . . . . 1.37 109.521 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.61 -30.03 62.73 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 108.731 -0.84 . . . . 3.07 108.731 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.489 ' HG3' ' HA ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -69.71 -32.73 71.47 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.652 -0.704 . . . . 2.78 109.604 178.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.59 ' HG3' ' N ' ' A' ' 89' ' ' SER . 0.1 OUTLIER -61.02 155.01 21.16 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.282 -0.636 . . . . 3.01 109.282 178.165 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.59 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 4.1 m 78.65 -12.46 1.08 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.734 0.814 . . . . 3.17 111.169 -178.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.13 -22.6 12.58 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.366 -0.605 . . . . 3.96 109.366 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.09 -0.957 . . . . 6.44 109.441 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 . . . . . 0 C--O 1.233 0.22 0 CA-C-O 121.781 0.801 . . . . 6.57 109.842 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.5 mt -84.78 6.49 24.27 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.923 -1.035 . . . . 5.39 111.441 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -76.51 55.49 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.376 0.608 . . . . 3.15 110.735 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.29 -15.72 59.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.647 -0.706 . . . . 2.24 110.376 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -33.53 69.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.204 0.526 . . . . 0.91 110.08 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.53 ' NH1' ' HB2' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -63.9 -37.92 89.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.298 -0.865 . . . . 3.67 110.451 179.331 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -43.59 96.35 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 120.958 0.409 . . . . 2.93 110.147 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.711 HG23 HD13 ' A' ' 84' ' ' LEU . 13.2 m -62.99 -50.15 71.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.545 -0.752 . . . . 0.38 110.791 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -59.56 -35.84 75.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.401 -0.818 . . . . 0.61 111.444 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.53 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 17.6 tp10 -66.48 -50.56 62.9 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.259 -0.428 . . . . 2.35 111.411 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -61.95 -32.27 72.68 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.818 0.342 . . . . 3.57 110.767 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.58 ' HB3' HD22 ' A' ' 46' ' ' LEU . 5.8 mt -73.14 -38.09 66.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.837 -0.619 . . . . 0.33 110.524 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -69.34 -40.76 77.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.343 -0.389 . . . . 3.33 110.341 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.01 -36.8 80.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.285 0.564 . . . . 2.36 110.059 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.541 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -72.57 -35.01 67.86 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.996 -0.547 . . . . 0.28 109.651 179.551 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.704 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -66.11 -33.19 75.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.684 -0.689 . . . . 0.86 110.424 179.695 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 mp -81.66 -32.2 31.92 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.603 -0.517 . . . . 0.6 109.603 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.76 -61.27 2.05 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.697 -0.683 . . . . 1.31 110.945 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.1 mt -68.49 -32.97 73.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.49 109.957 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.462 ' HA2' HG23 ' A' ' 37' ' ' VAL . . . -63.24 -44.52 96.91 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.579 -0.737 . . . . 0.65 113.447 -179.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -82.69 -12.5 57.54 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 117.677 0.738 . . . . 1.94 111.412 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 32' ' ' ARG . 3.0 ttm105 -91.05 -3.9 56.8 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.213 0.53 . . . . 3.82 110.065 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.4 ttm -92.23 156.11 17.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.912 -0.585 . . . . 1.84 109.881 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.7 t -131.72 113.93 15.35 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.616 -0.265 . . . . 1.87 110.471 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.06 150.61 95.96 Favored 'Cis proline' 0 C--O 1.238 0.51 0 C-N-CA 123.401 -1.499 . . . . 1.86 112.398 0.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.61 137.25 80.38 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.674 2.25 . . . . 1.42 112.373 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.462 HG23 ' HA2' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -91.61 118.13 36.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.51 -0.768 . . . . 2.02 110.751 -179.574 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.59 -21.24 79.66 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.404 -0.903 . . . . 1.27 111.205 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -140.54 75.59 1.51 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.558 -0.534 . . . . 2.13 109.558 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.704 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 34.2 t80 -48.59 -56.66 7.79 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 108.842 -0.799 . . . . 0.52 108.842 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.677 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 5.0 tpp -130.23 125.37 21.79 Favored Pre-proline 0 N--CA 1.445 -0.721 0 N-CA-C 107.498 -1.297 . . . . 0.28 107.498 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.47 ' HG2' ' HE1' ' A' ' 70' ' ' TYR . 37.2 Cg_exo -61.13 140.29 88.54 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.0 1.8 . . . . 0.29 112.289 -178.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.577 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.1 p-10 -50.35 -38.43 42.13 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.386 -0.37 . . . . 1.51 111.925 -179.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -60.83 -41.35 95.58 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.167 0.508 . . . . 0.57 110.92 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.442 ' O ' ' HB3' ' A' ' 49' ' ' MET . 6.0 mm -77.17 -37.36 25.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.909 -0.587 . . . . 0.34 110.274 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.868 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 47.9 mt -59.75 -35.15 73.99 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.877 0.37 . . . . 0.26 110.167 179.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 3.4 mttt -73.91 -44.84 53.85 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.071 -0.513 . . . . 0.97 112.294 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 44' ' ' SER . 4.9 ptpt -70.57 -39.19 74.04 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 119.515 -0.874 . . . . 0.77 110.507 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.868 ' SD ' ' HA ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -66.58 -31.93 72.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.307 -0.406 . . . . 1.07 110.437 179.197 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' N ' ' HG2' ' A' ' 49' ' ' MET . . . -76.83 -30.88 56.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.22 111.726 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.67 -40.73 33.16 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.075 0.398 . . . . 0.3 112.075 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -89.51 -42.19 14.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.616 -0.266 . . . . 0.37 111.484 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 53' ' ' LEU . 14.9 mt 54.94 75.4 0.61 Allowed Pre-proline 0 C--N 1.328 -0.345 0 O-C-N 123.797 0.686 . . . . 0.41 109.85 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.461 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 1.8 Cg_endo -79.01 112.98 3.17 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.752 2.301 . . . . 0.48 112.537 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.524 ' SD ' ' HB3' ' A' ' 85' ' ' SER . 72.0 mtp -91.8 12.28 21.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.988 -0.551 . . . . 1.66 110.679 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -143.12 149.57 38.29 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.806 -0.634 . . . . 2.68 110.413 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -34.67 78.87 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.535 0.522 . . . . 2.68 110.915 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.28 -37.44 77.85 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.786 -0.82 . . . . 1.02 108.786 178.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.93 -30.09 71.06 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 115.124 -0.944 . . . . 0.62 110.7 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.461 ' CD1' ' HG2' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -57.48 -25.22 59.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.779 -0.646 . . . . 0.46 111.257 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.84 -22.53 64.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.67 111.654 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.5 p -66.23 -16.63 64.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.761 0.315 . . . . 1.13 111.752 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.3 mt -84.04 -5.8 59.3 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.007 0.432 . . . . 0.68 109.906 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.24 -152.75 17.49 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.305 -1.118 . . . . 1.61 110.305 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.55 69.54 1.24 Allowed 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 117.21 0.505 . . . . 2.55 110.055 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.4 m -55.45 136.11 18.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.019 -0.537 . . . . 0.89 110.945 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.676 ' H ' ' HD2' ' A' ' 70' ' ' TYR . 4.2 mt-10 -77.38 163.96 25.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.592 -0.731 . . . . 2.42 110.19 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -58.17 -32.82 68.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.052 0.453 . . . . 1.72 110.12 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' A' ' 72' ' ' ARG . 2.9 pttt -61.05 -27.29 68.23 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.793 -0.64 . . . . 1.97 110.666 178.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.676 ' HD2' ' H ' ' A' ' 67' ' ' GLU . 75.9 m-85 -87.36 -33.95 18.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.051 0.453 . . . . 1.29 109.802 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.521 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 5.9 mmm180 -63.5 -33.36 75.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.194 -0.912 . . . . 2.55 111.248 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.684 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 50.9 mtp180 -54.27 -55.24 30.19 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-O 121.079 0.466 . . . . 4.38 110.793 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.599 ' HA ' ' HD2' ' A' ' 76' ' ' TYR . 4.3 mpt_? -75.2 -8.61 57.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.731 -0.668 . . . . 1.44 110.932 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.521 ' HB2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -72.76 -37.7 67.56 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.688 -0.687 . . . . 0.36 110.433 179.02 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.684 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 7.0 pttt -67.74 -22.09 65.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.173 -0.467 . . . . 1.72 110.521 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.599 ' HD2' ' HA ' ' A' ' 73' ' ' ARG . 20.5 m-85 -89.73 -4.56 57.64 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.93 0.395 . . . . 0.99 110.7 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.677 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 1.3 m-85 -112.59 -13.81 13.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.861 -0.609 . . . . 0.27 112.145 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.12 -29.29 44.43 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 114.087 1.143 . . . . 1.37 114.087 -177.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.81 -34.85 51.91 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.764 -0.585 . . . . 0.56 111.146 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.81 -48.94 13.81 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.79 -0.641 . . . . 0.53 110.754 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 97.9 mt -57.15 -38.68 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.327 -0.397 . . . . 0.55 110.875 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -70.18 -46.91 63.65 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.01 0.433 . . . . 0.53 110.408 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.989 ' HA ' ' HD3' ' A' ' 86' ' ' LYS . 27.8 t0 -61.21 -42.59 98.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.882 -0.599 . . . . 1.4 111.643 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.711 HD13 HG23 ' A' ' 18' ' ' THR . 18.3 mt -59.81 -29.59 68.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.55 -0.296 . . . . 0.48 111.399 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.524 ' HB3' ' SD ' ' A' ' 55' ' ' MET . 3.5 t -78.84 -29.05 44.41 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.84 -0.43 . . . . 1.37 109.84 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.989 ' HD3' ' HA ' ' A' ' 83' ' ' ASP . 1.1 mtpm? -69.82 -42.85 73.09 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.366 -0.605 . . . . 3.07 109.366 178.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -26.8 63.48 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.755 -0.657 . . . . 2.78 109.953 178.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -80.79 46.82 0.91 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.396 0.617 . . . . 3.01 110.463 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -27.98 60.92 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.784 -0.45 . . . . 3.17 109.784 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m 68.51 26.48 6.49 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.229 -0.896 . . . . 3.96 110.608 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 . . . . . 0 C--O 1.252 1.196 0 CA-C-N 115.328 -0.851 . . . . 6.44 109.368 178.677 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.44 -0.95 0 N-CA-C 108.1 -1.074 . . . . 6.57 108.1 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.489 HD13 HD13 ' A' ' 15' ' ' LEU . 16.1 mt -91.94 48.85 1.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.942 -1.026 . . . . 5.39 109.741 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -36.78 82.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.436 -0.802 . . . . 3.15 111.413 -179.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.568 ' ND2' ' HB3' ' A' ' 91' ' ' GLU . 0.8 OUTLIER -72.61 -38.66 67.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.388 -0.369 . . . . 2.24 110.53 179.402 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.531 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -61.34 -31.27 71.14 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.236 0.541 . . . . 0.91 109.963 178.784 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 16' ' ' ARG . 29.2 ttp180 -65.35 -38.56 90.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.77 -0.65 . . . . 3.67 109.499 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 ttt -68.38 -35.5 77.8 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 121.445 0.641 . . . . 2.93 109.512 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.584 HG23 HD13 ' A' ' 84' ' ' LEU . 31.1 m -63.67 -47.65 80.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.481 -0.781 . . . . 0.38 109.771 178.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -65.48 -43.98 88.53 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.674 -0.694 . . . . 0.61 110.899 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.75 -39.1 93.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.406 -0.361 . . . . 2.35 111.119 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.527 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -65.23 -31.06 72.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.208 0.528 . . . . 3.57 109.712 178.789 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.934 ' HB3' HD22 ' A' ' 46' ' ' LEU . 4.8 mt -74.87 -36.73 62.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.46 -0.791 . . . . 0.33 110.496 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 23' ' ' ARG . 3.5 ttt180 -73.75 -39.92 63.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.075 0.464 . . . . 3.33 109.885 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -67.04 -35.15 79.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.169 -0.469 . . . . 2.36 109.82 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.552 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -75.55 -33.53 60.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.576 -0.738 . . . . 0.28 109.238 178.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.64 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -68.84 -39.05 80.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.877 -0.601 . . . . 0.86 110.627 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mp -76.67 -30.79 56.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.167 0.508 . . . . 0.6 110.234 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -74.85 -57.42 3.92 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.89 -0.596 . . . . 1.31 110.905 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.614 HD13 ' HB3' ' A' ' 76' ' ' TYR . 62.1 mt -61.14 -38.36 86.13 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.49 110.899 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.589 ' O ' ' HA ' ' A' ' 36' ' ' PRO . . . -63.73 -47.4 86.85 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.307 -0.949 . . . . 0.65 111.137 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.527 ' HA ' ' HB3' ' A' ' 36' ' ' PRO . 63.8 t30 -70.54 -11.89 61.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.386 0.612 . . . . 1.94 109.821 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 32' ' ' ARG . 3.1 ttp180 -92.27 -3.41 55.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.257 -0.883 . . . . 3.82 109.9 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.79 165.41 11.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.858 -0.61 . . . . 1.84 110.212 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 43.2 t -131.37 111.73 15.33 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 110.352 -0.24 . . . . 1.87 110.352 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 66.0 Cg_endo -76.96 155.52 97.48 Favored 'Cis proline' 0 C--O 1.237 0.465 0 C-N-CA 123.191 -1.587 . . . . 1.86 111.838 0.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.589 ' HA ' ' O ' ' A' ' 30' ' ' GLY . 14.0 Cg_endo -57.2 129.59 35.02 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.622 2.215 . . . . 1.42 112.673 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.412 ' O ' ' HA3' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -98.49 104.67 16.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.271 -0.877 . . . . 2.02 109.933 -179.872 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.59 -26.31 74.62 Favored Glycine 0 C--O 1.227 -0.317 0 CA-C-N 116.046 -0.524 . . . . 1.27 111.928 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -112.14 49.47 0.91 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.415 0.626 . . . . 2.13 109.566 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.64 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 28.6 t80 -42.3 -51.69 4.74 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.065 -0.97 . . . . 0.52 110.675 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.602 ' HB3' HD21 ' A' ' 46' ' ' LEU . 7.8 tpp -136.23 121.28 13.17 Favored Pre-proline 0 N--CA 1.444 -0.764 0 N-CA-C 107.823 -1.177 . . . . 0.28 107.823 177.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.45 146.1 75.96 Favored 'Trans proline' 0 N--CA 1.471 0.165 0 C-N-CA 123.159 2.573 . . . . 0.29 112.956 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -52.14 -39.87 60.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.948 -0.569 . . . . 1.51 111.194 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.642 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -62.88 -42.37 99.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.305 -0.407 . . . . 0.57 111.153 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.422 ' O ' ' HB3' ' A' ' 49' ' ' MET . 7.1 mm -73.05 -37.07 52.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.34 111.014 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.934 HD22 ' HB3' ' A' ' 22' ' ' LEU . 83.3 mt -61.64 -38.03 86.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.515 -0.311 . . . . 0.26 110.355 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -68.99 -47.75 64.78 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.889 0.7 . . . . 0.97 112.889 -178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.642 ' HG2' ' O ' ' A' ' 44' ' ' SER . 8.1 ptpt -68.12 -41.44 81.72 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.149 0.499 . . . . 0.77 110.872 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.424 ' CE ' ' HE1' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -65.89 -30.01 70.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.847 -0.615 . . . . 1.07 110.593 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.87 -29.31 44.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.974 0.416 . . . . 0.22 111.29 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.531 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -80.39 -45.52 17.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.172 -0.467 . . . . 0.3 112.172 -179.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -81.89 -36.5 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.954 0.407 . . . . 0.37 110.776 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.622 HD13 ' HA ' ' A' ' 85' ' ' SER . 12.2 mt 54.83 68.6 2.5 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.232 -0.894 . . . . 0.41 111.94 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.45 ' HD2' HG21 ' A' ' 81' ' ' ILE . 1.4 Cg_endo -80.75 105.46 1.69 Allowed 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.867 2.378 . . . . 0.48 111.176 179.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.09 -14.43 62.66 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.457 0.91 . . . . 1.66 113.457 -178.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -155.46 -172.76 4.27 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 122.067 -0.396 . . . . 2.68 110.824 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -68.07 -176.34 0.69 Allowed 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.458 -0.571 . . . . 2.68 109.458 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 m 70.45 -49.28 0.65 Allowed 'General case' 0 CA--C 1.534 0.359 0 O-C-N 123.46 0.475 . . . . 1.02 110.999 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.09 -29.61 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.346 -0.613 . . . . 0.62 109.346 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.97 -26.08 14.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.1 -0.955 . . . . 0.46 112.076 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.13 -23.11 65.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.325 -0.398 . . . . 0.67 111.962 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.0 p -72.69 -11.86 60.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.837 0.31 . . . . 1.13 111.837 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.0 mt -75.67 -8.67 57.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.955 0.407 . . . . 0.68 110.085 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.5 -110.63 2.63 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.557 -0.83 . . . . 1.61 111.416 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.97 71.01 1.46 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.842 0.353 . . . . 2.55 111.234 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.436 HG23 ' HD2' ' A' ' 71' ' ' ARG . 27.2 m -72.68 129.21 35.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 120.134 -0.626 . . . . 0.89 109.8 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.95 160.64 23.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.972 -0.558 . . . . 2.42 110.264 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.408 ' O ' ' HD3' ' A' ' 72' ' ' ARG . 30.6 t70 -60.07 -34.37 73.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.733 -0.667 . . . . 1.72 109.473 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -63.61 -28.94 70.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.518 -0.765 . . . . 1.97 109.873 178.482 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.461 ' N ' ' HG2' ' A' ' 69' ' ' LYS . 69.0 m-85 -78.61 -36.77 43.71 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.534 -0.543 . . . . 1.29 109.534 178.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.457 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -62.91 -35.15 79.11 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.627 0.58 . . . . 2.55 109.726 178.399 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.535 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -56.92 -67.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.254 -0.885 . . . . 4.38 112.035 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -3.82 33.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.255 0.55 . . . . 1.44 110.638 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.457 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -61.93 -35.13 77.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.789 -0.641 . . . . 0.36 110.18 179.014 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -55.57 -23.65 28.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.617 -0.72 . . . . 1.72 112.455 -179.646 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.614 ' HB3' HD13 ' A' ' 29' ' ' LEU . 62.5 m-85 -76.93 -8.26 57.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.546 0.212 . . . . 0.99 111.244 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.59 ' CE1' HD23 ' A' ' 22' ' ' LEU . 8.9 m-85 -112.89 -17.21 12.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.275 -0.421 . . . . 0.27 110.882 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -31.25 18.88 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 114.457 1.28 . . . . 1.37 114.457 -177.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.55 -32.92 28.34 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.156 -0.618 . . . . 0.56 110.521 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.65 -45.79 50.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.582 -0.736 . . . . 0.53 111.019 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 77' ' ' PHE . 8.1 mt -60.32 -38.31 77.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.194 0.521 . . . . 0.55 110.08 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.33 -46.81 78.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.909 -0.587 . . . . 0.53 110.477 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -42.52 93.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.867 -0.606 . . . . 1.4 110.529 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.584 HD13 HG23 ' A' ' 18' ' ' THR . 16.3 mt -63.19 -31.36 72.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.48 110.868 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.622 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -72.31 -31.17 65.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.902 -0.59 . . . . 1.37 111.055 -179.717 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -84.79 -24.52 28.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.887 0.375 . . . . 3.07 110.967 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -77.58 -37.59 50.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.178 0.513 . . . . 2.78 109.85 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -82.54 49.35 1.44 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.57 -0.741 . . . . 3.01 111.2 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.1 m -94.24 -58.14 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.817 0.342 . . . . 3.17 111.064 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.42 -7.2 12.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.298 0.57 . . . . 3.96 110.703 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.568 ' HB3' ' ND2' ' A' ' 14' ' ' ASN . 1.1 mm-40 . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.351 -0.833 . . . . 6.44 109.512 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 N--CA 1.467 0.379 0 N-CA-C 108.19 -1.041 . . . . 6.57 108.19 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.63 171.72 13.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.698 -1.137 . . . . 5.39 111.159 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -92.55 47.67 1.32 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.592 -0.731 . . . . 3.15 109.405 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -67.65 -45.42 75.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.414 -0.812 . . . . 2.24 110.182 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -38.11 89.4 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.132 0.491 . . . . 0.91 109.947 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -67.98 -39.9 83.19 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.935 -0.575 . . . . 3.67 110.024 178.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.3 tmm? -61.74 -41.28 97.45 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.384 0.611 . . . . 2.93 109.956 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.635 HG23 HD13 ' A' ' 84' ' ' LEU . 7.4 m -63.94 -44.49 92.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.029 -0.987 . . . . 0.38 109.809 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -66.32 -41.58 89.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.61 110.574 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.4 -46.47 88.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 2.35 110.918 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -64.36 -34.9 79.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.501 -0.318 . . . . 3.57 110.718 179.562 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.646 HD23 ' CE1' ' A' ' 77' ' ' PHE . 2.8 mt -72.24 -40.28 67.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.498 -0.319 . . . . 0.33 110.71 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -40.86 89.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.814 0.34 . . . . 3.33 110.832 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.73 -34.53 75.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.935 0.398 . . . . 2.36 110.202 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.668 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -73.35 -34.87 65.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.81 -0.632 . . . . 0.28 110.164 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.674 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 51.0 m -64.67 -36.54 84.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.13 0.49 . . . . 0.86 110.487 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.92 -33.12 63.85 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.936 -0.575 . . . . 0.6 110.898 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -78.2 -53.35 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.944 -0.571 . . . . 1.31 112.04 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.668 ' HG ' HD22 ' A' ' 25' ' ' LEU . 93.8 mt -64.12 -32.94 74.69 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.692 0.282 . . . . 0.49 111.11 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.03 -33.61 79.96 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.947 -0.644 . . . . 0.65 113.075 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -99.76 -11.57 20.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 117.074 0.437 . . . . 1.94 110.339 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.456 HH11 ' HD3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -93.62 -2.67 53.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.909 0.385 . . . . 3.82 110.913 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.6 159.36 15.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.196 -0.457 . . . . 1.84 110.853 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 3.3 t -122.79 108.26 33.05 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.46 -0.336 . . . . 1.87 110.587 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 74.5 Cg_endo -84.97 168.6 51.61 Favored 'Cis proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.975 -1.26 . . . . 1.86 111.662 -0.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -52.04 138.32 53.1 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.918 2.412 . . . . 1.42 112.481 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.4 t -92.82 -30.05 4.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.842 -0.617 . . . . 2.02 111.929 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.77 -77.19 1.49 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.263 -0.97 . . . . 1.27 110.809 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -102.49 73.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.334 -0.617 . . . . 2.13 109.334 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.674 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 8.1 t80 -43.69 -75.47 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 114.853 -1.067 . . . . 0.52 111.939 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.724 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -117.43 132.41 23.57 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.388 -0.597 . . . . 0.28 109.388 179.524 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 41' ' ' MET . 8.2 Cg_exo -71.48 146.91 51.03 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 122.616 2.211 . . . . 0.29 111.533 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.524 ' HA ' HD12 ' A' ' 46' ' ' LEU . 2.2 t70 -48.46 -40.99 28.26 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.776 0.673 . . . . 1.51 111.819 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -48.97 79.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.468 . . . . 0.57 111.444 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 49' ' ' MET . 31.4 mm -69.78 -35.73 66.59 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 CA-C-N 116.282 -0.417 . . . . 0.34 111.105 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 22' ' ' LEU . 20.7 mt -62.56 -37.46 86.23 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.409 -0.36 . . . . 0.26 110.839 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -68.96 -52.02 33.48 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.177 0.436 . . . . 0.97 112.177 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.479 ' HG3' HD22 ' A' ' 63' ' ' LEU . 4.7 ptpt -64.15 -42.26 96.83 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.906 0.384 . . . . 0.77 111.041 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.526 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -65.47 -30.43 71.21 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.142 -0.481 . . . . 1.07 110.836 -179.707 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.14 -30.51 43.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.78 0.324 . . . . 0.22 111.4 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.24 -40.73 23.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.298 -0.41 . . . . 0.3 111.383 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 mp -88.53 -34.82 7.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 CA-C-N 116.574 -0.284 . . . . 0.37 111.465 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 85' ' ' SER . 12.4 mt 53.37 67.99 3.28 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.754 -0.657 . . . . 0.41 110.421 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.447 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 6.1 Cg_exo -79.03 118.48 4.07 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 123.554 2.836 . . . . 0.48 112.389 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.7 mtp -95.78 -20.05 19.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.602 -0.727 . . . . 1.66 111.247 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -123.84 166.68 15.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.197 0.523 . . . . 2.68 111.666 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -56.81 -45.39 82.31 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.208 -0.906 . . . . 2.68 112.695 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.51 -38.53 71.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.681 0.277 . . . . 1.02 111.665 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.447 ' CB ' ' HB3' ' A' ' 54' ' ' PRO . . . -72.38 -28.61 63.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.217 0.532 . . . . 0.62 111.004 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.447 ' HD1' ' HA ' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -67.13 -25.64 66.28 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.679 -0.408 . . . . 0.46 110.747 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.22 -26.93 64.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.67 110.785 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.85 0.23 28.0 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.987 -0.285 . . . . 1.13 111.456 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.479 HD22 ' HG3' ' A' ' 48' ' ' LYS . 35.8 mt -83.82 21.1 1.34 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.775 -0.454 . . . . 0.68 109.775 178.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.86 32.25 37.16 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.551 -1.02 . . . . 1.61 110.551 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 56.67 82.11 0.12 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.408 0.683 . . . . 2.55 111.645 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.515 HG12 HD12 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -65.65 138.02 23.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 115.568 -0.742 . . . . 0.89 110.606 179.463 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.5 146.19 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.938 -0.574 . . . . 2.42 110.242 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -56.34 -35.34 67.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.404 -0.362 . . . . 1.72 111.284 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -66.67 -26.55 67.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.286 -0.416 . . . . 1.97 111.069 179.386 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.406 ' N ' ' HG2' ' A' ' 69' ' ' LYS . 11.3 m-85 -82.9 -33.06 27.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 1.29 110.098 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.537 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 37.5 mtm-85 -68.42 -34.16 75.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.716 -0.674 . . . . 2.55 110.958 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -54.22 49.45 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 112.604 0.594 . . . . 4.38 112.604 -178.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -85.89 -0.54 55.66 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.27 0.557 . . . . 1.44 109.749 -179.743 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.537 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -58.12 -35.05 70.92 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.33 -0.85 . . . . 0.36 110.664 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.789 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -54.21 -24.37 18.18 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.08 0.77 . . . . 1.72 113.08 -178.81 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.606 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 91.7 m-85 -73.9 -10.31 59.52 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.828 -0.349 . . . . 0.99 110.726 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.724 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.4 OUTLIER -105.99 -12.99 15.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.308 -0.405 . . . . 0.27 111.06 179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.789 ' HD3' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -57.96 -32.84 68.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.983 0.364 . . . . 1.37 111.983 -178.447 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.56 -32.43 72.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.414 0.626 . . . . 0.56 110.427 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.03 -46.56 13.77 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.524 -0.762 . . . . 0.53 111.427 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 77' ' ' PHE . 51.1 mt -58.26 -43.03 85.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.239 -0.437 . . . . 0.55 110.573 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.19 -49.92 75.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.53 111.333 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.12 -43.97 93.66 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.901 -0.59 . . . . 1.4 111.516 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.635 HD13 HG23 ' A' ' 18' ' ' THR . 34.3 mt -67.51 -30.5 70.19 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.652 -0.249 . . . . 0.48 111.46 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.535 ' HA ' HD13 ' A' ' 53' ' ' LEU . 1.3 t -79.18 -30.8 43.65 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.914 -0.402 . . . . 1.37 109.914 179.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -73.18 -46.07 52.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.86 -0.609 . . . . 3.07 109.926 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -71.81 -24.73 61.77 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.036 -0.529 . . . . 2.78 111.451 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -55.65 -50.89 69.0 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.389 -0.369 . . . . 3.01 111.207 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.63 20.13 4.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.978 0.418 . . . . 3.17 111.431 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.72 39.95 1.4 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.093 0.473 . . . . 3.96 110.179 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.523 -0.751 . . . . 6.44 110.317 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.473 0.682 0 CA-C-O 121.074 0.464 . . . . 6.57 110.818 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 mt -81.23 53.85 2.13 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.884 -0.598 . . . . 5.39 109.872 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -83.31 76.48 9.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.593 -0.731 . . . . 3.15 110.121 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.97 -28.27 61.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.732 -0.667 . . . . 2.24 110.042 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.81 -36.94 84.8 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.875 -0.417 . . . . 0.91 109.875 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.44 -40.37 67.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.235 0.54 . . . . 3.67 109.743 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 45.5 ttp -60.46 -43.59 96.73 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.391 -0.822 . . . . 2.93 110.178 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.863 HG23 HD13 ' A' ' 84' ' ' LEU . 8.5 m -66.04 -49.42 67.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.365 -0.834 . . . . 0.38 110.241 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -58.48 -44.43 89.35 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.048 -0.524 . . . . 0.61 110.632 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -48.24 82.65 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.007 -0.542 . . . . 2.35 110.681 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.552 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -63.1 -34.13 76.93 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.857 -0.61 . . . . 3.57 110.416 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.863 ' HB3' HD22 ' A' ' 46' ' ' LEU . 5.4 mt -72.75 -36.86 67.81 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.213 -0.449 . . . . 0.33 110.521 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -43.74 68.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.562 -0.29 . . . . 3.33 111.025 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -67.8 -35.18 78.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.399 0.619 . . . . 2.36 110.414 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.552 ' HB2' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -73.22 -43.65 60.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.56 -0.745 . . . . 0.28 109.473 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.587 ' HB2' ' O ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -62.62 -34.13 76.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.108 -0.496 . . . . 0.86 112.164 -179.575 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 mp -78.52 -32.48 48.09 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.981 0.42 . . . . 0.6 110.516 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -71.62 -56.09 6.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.554 -0.748 . . . . 1.31 110.688 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.39 -33.89 76.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.059 -0.519 . . . . 0.49 110.421 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.446 ' HA2' HG23 ' A' ' 37' ' ' VAL . . . -61.51 -46.63 93.93 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.851 -0.613 . . . . 0.65 112.372 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -77.06 -12.99 60.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 1.94 111.051 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -91.75 -6.22 52.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.238 0.542 . . . . 3.82 109.968 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.39 156.68 16.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.46 -0.791 . . . . 1.84 109.712 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.2 t -133.4 119.21 15.19 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.146 -0.316 . . . . 1.87 110.146 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 43.6 Cg_endo -68.74 145.32 76.77 Favored 'Cis proline' 0 C--O 1.235 0.339 0 C-N-CA 123.826 -1.322 . . . . 1.86 112.443 0.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' PRO . 68.9 Cg_exo -53.33 128.33 28.78 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.647 2.231 . . . . 1.42 112.334 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.446 HG23 ' HA2' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -89.84 113.12 25.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.673 -0.694 . . . . 2.02 110.182 -179.749 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.82 -26.18 71.02 Favored Glycine 0 C--N 1.334 0.44 0 N-CA-C 109.55 -1.42 . . . . 1.27 109.55 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -137.07 81.46 1.87 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 114.389 -0.905 . . . . 2.13 109.43 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.439 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 39.6 t80 -50.02 -36.14 27.55 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.018 -0.992 . . . . 0.52 109.711 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.664 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 8.5 tpp -142.14 125.69 9.69 Favored Pre-proline 0 N--CA 1.445 -0.7 0 N-CA-C 107.383 -1.34 . . . . 0.28 107.383 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -56.35 141.54 89.0 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 121.784 1.656 . . . . 0.29 112.29 -178.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.64 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -51.4 -35.9 41.11 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.716 0.635 . . . . 1.51 110.499 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.574 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -60.63 -49.62 76.8 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.692 -0.685 . . . . 0.57 110.894 178.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.459 ' O ' ' HB3' ' A' ' 49' ' ' MET . 1.2 mm -69.45 -35.81 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 116.428 -0.351 . . . . 0.34 110.35 178.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.863 HD22 ' HB3' ' A' ' 22' ' ' LEU . 56.8 mt -61.04 -37.23 81.88 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.698 0.285 . . . . 0.26 110.379 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -70.49 -51.16 30.97 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.576 0.584 . . . . 0.97 112.576 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -66.47 -38.93 88.41 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.688 -0.405 . . . . 0.77 111.379 -179.371 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.459 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -68.2 -29.92 68.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.15 -0.315 . . . . 1.07 110.15 179.829 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.482 ' HA ' HG21 ' A' ' 18' ' ' THR . . . -79.7 -29.75 40.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.359 -0.382 . . . . 0.22 110.953 178.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.02 -39.6 23.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.396 -0.365 . . . . 0.3 111.698 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -92.05 -39.41 11.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 C-N-CA 120.636 -0.426 . . . . 0.37 111.038 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.408 HD23 HG23 ' A' ' 81' ' ' ILE . 6.8 mt 59.38 73.7 0.65 Allowed Pre-proline 0 C--O 1.234 0.263 0 CA-C-N 115.469 -0.787 . . . . 0.41 110.51 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.46 ' HG2' ' CE1' ' A' ' 60' ' ' PHE . 13.7 Cg_endo -88.32 110.16 0.61 Allowed 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.048 2.499 . . . . 0.48 112.069 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.41 -49.46 9.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.05 -0.523 . . . . 1.66 110.732 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.491 ' ND2' ' H ' ' A' ' 58' ' ' SER . 0.1 OUTLIER -81.76 147.85 29.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.72 -0.673 . . . . 2.68 110.618 -179.642 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.626 ' O ' ' HB2' ' A' ' 60' ' ' PHE . 50.0 m-20 -64.44 -28.91 70.0 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.761 0.652 . . . . 2.68 112.761 -178.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.491 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -69.69 -35.22 74.91 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.911 -0.493 . . . . 1.02 110.718 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.94 -24.64 66.1 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.553 0.692 . . . . 0.62 109.834 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.626 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -59.93 -22.29 62.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.173 -0.922 . . . . 0.46 111.735 179.798 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.2 -27.1 68.74 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.334 0.494 . . . . 0.67 112.334 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.75 -8.05 59.66 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.793 0.33 . . . . 1.13 111.558 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 4.0 mt -74.18 -20.67 60.13 Favored 'General case' 0 N--CA 1.461 0.098 0 N-CA-C 108.371 -0.974 . . . . 0.68 108.371 177.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.67 -127.92 6.34 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.112 -1.195 . . . . 1.61 110.112 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.38 74.17 1.03 Allowed 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 121.033 -0.267 . . . . 2.55 111.522 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 m -71.93 131.18 34.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 N-CA-C 109.469 -0.567 . . . . 0.89 109.469 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.52 ' HB2' ' CD1' ' A' ' 70' ' ' TYR . 1.1 mt-10 -68.35 168.02 13.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.121 0.486 . . . . 2.42 111.673 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.6 -36.22 83.52 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.131 -0.692 . . . . 1.72 109.131 178.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.515 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -66.28 -27.47 67.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.652 -0.703 . . . . 1.97 110.33 178.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.52 ' CD1' ' HB2' ' A' ' 67' ' ' GLU . 11.8 m-85 -78.54 -41.12 33.05 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.764 -0.653 . . . . 1.29 109.633 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.453 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 0.8 OUTLIER -63.1 -35.84 81.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.859 -0.61 . . . . 2.55 110.658 179.616 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -56.68 -76.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.861 -0.609 . . . . 4.38 111.44 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -65.1 -6.05 8.07 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.51 -0.768 . . . . 1.44 111.524 -179.324 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.453 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -56.04 -33.25 64.77 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.239 -0.652 . . . . 0.36 109.239 177.862 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.49 ' HA ' ' HB2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -58.05 -24.82 59.93 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.177 -0.919 . . . . 1.72 111.924 179.72 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -73.24 -12.59 60.91 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.999 0.428 . . . . 0.99 110.475 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.664 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 2.4 m-85 -106.18 -16.33 14.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.483 -0.78 . . . . 0.27 109.597 178.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.49 ' HB2' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -54.25 -32.97 57.42 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.743 0.646 . . . . 1.37 112.743 -178.424 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.16 -34.68 63.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.296 0.57 . . . . 0.56 110.031 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.67 -45.96 34.02 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.407 -0.815 . . . . 0.53 111.004 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 77' ' ' PHE . 22.7 mt -61.01 -25.38 35.9 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 CA-C-N 116.296 -0.411 . . . . 0.55 110.158 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.68 -33.55 53.22 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.111 0.481 . . . . 0.53 111.382 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.29 -45.19 18.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.195 -0.457 . . . . 1.4 110.883 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.863 HD13 HG23 ' A' ' 18' ' ' THR . 9.0 mt -65.72 -29.79 70.37 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.836 0.68 . . . . 0.48 112.836 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 p -72.66 -29.67 63.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.296 0.569 . . . . 1.37 109.68 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.66 -11.43 53.83 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.535 -0.757 . . . . 3.07 110.128 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -97.22 -15.83 20.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.754 -0.657 . . . . 2.78 110.836 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -60.41 112.0 1.79 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.635 -0.711 . . . . 3.01 111.419 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.96 27.28 16.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.057 -0.974 . . . . 3.17 110.622 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m 72.25 -46.05 0.63 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.446 0.698 . . . . 3.96 112.013 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.337 -0.839 . . . . 6.44 109.849 179.644 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.45 0 CA-C-O 121.342 0.591 . . . . 6.57 109.494 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 12' ' ' LEU . 18.0 mt -92.19 64.28 4.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.657 -0.701 . . . . 5.39 109.761 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' A' ' 17' ' ' MET . 11.6 t30 -88.49 37.08 0.81 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.413 -0.812 . . . . 3.15 110.13 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -74.78 -59.2 2.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.932 -0.576 . . . . 2.24 111.708 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.563 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -62.96 -36.39 83.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.689 -0.232 . . . . 0.91 111.353 -179.413 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.474 ' HD3' ' OD1' ' A' ' 13' ' ' ASN . 2.8 ttp180 -64.34 -38.39 90.87 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.571 -0.529 . . . . 3.67 109.571 178.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.486 ' HB2' ' O ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -70.79 -33.05 70.34 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.82 -0.627 . . . . 2.93 110.087 178.479 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.647 HG23 HD13 ' A' ' 84' ' ' LEU . 25.6 m -63.61 -50.16 70.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.028 0.442 . . . . 0.38 110.194 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -65.12 -42.68 93.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.829 -0.623 . . . . 0.61 110.967 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.64 -37.05 79.39 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.619 -0.264 . . . . 2.35 111.587 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -66.64 -34.63 78.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.202 0.525 . . . . 3.57 109.626 178.795 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.739 ' HB3' HD22 ' A' ' 46' ' ' LEU . 1.7 mt -69.32 -38.26 78.15 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.469 -0.787 . . . . 0.33 109.631 178.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -65.21 -45.88 82.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.664 -0.698 . . . . 3.33 111.183 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -68.38 -34.97 77.0 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.182 -0.463 . . . . 2.36 109.755 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.588 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -70.2 -35.37 73.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.28 110.397 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.617 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 21.6 m -63.48 -36.26 83.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.13 0.49 . . . . 0.86 110.033 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mp -78.45 -33.85 48.14 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.913 -0.585 . . . . 0.6 110.463 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.445 ' O ' ' HB2' ' A' ' 32' ' ' ARG . 1.1 t-20 -71.3 -58.4 3.57 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.751 -0.659 . . . . 1.31 110.963 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.588 ' HG ' HD22 ' A' ' 25' ' ' LEU . 59.4 mt -63.46 -39.27 94.02 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.49 109.975 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 36' ' ' PRO . . . -59.03 -52.13 55.2 Favored Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.119 -0.946 . . . . 0.65 111.812 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.423 ' HA ' ' HB3' ' A' ' 36' ' ' PRO . 5.5 t-20 -71.63 -14.05 61.94 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.811 0.305 . . . . 1.94 111.208 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -88.33 -4.79 58.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.241 0.543 . . . . 3.82 110.343 179.434 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.52 165.18 12.29 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.694 -0.854 . . . . 1.84 108.694 178.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.2 t -133.98 112.92 12.49 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.983 -0.377 . . . . 1.87 109.983 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -74.24 155.84 99.82 Favored 'Cis proline' 0 C--N 1.346 0.399 0 C-N-CA 122.952 -1.687 . . . . 1.86 112.245 0.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.423 ' HB3' ' HA ' ' A' ' 31' ' ' ASN . 18.7 Cg_endo -59.12 129.59 32.43 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.36 2.04 . . . . 1.42 112.319 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -88.14 120.47 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 115.758 -0.656 . . . . 2.02 110.832 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.59 -26.97 40.49 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 110.16 -1.176 . . . . 1.27 110.16 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -119.85 64.5 0.81 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.793 -0.703 . . . . 2.13 109.797 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.617 ' CD2' ' HA ' ' A' ' 26' ' ' SER . 27.5 t80 -57.36 -49.99 74.39 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.525 -0.761 . . . . 0.52 110.087 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.717 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 37.1 tpp -141.53 127.42 11.07 Favored Pre-proline 0 N--CA 1.449 -0.501 0 N-CA-C 108.558 -0.904 . . . . 0.28 108.558 178.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -56.9 141.8 93.22 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.629 2.22 . . . . 0.29 112.63 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.607 ' HA ' HD12 ' A' ' 46' ' ' LEU . 1.4 t0 -50.18 -39.4 43.73 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.426 -0.806 . . . . 1.51 111.419 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -65.36 -46.88 78.43 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.425 -0.807 . . . . 0.57 110.797 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.487 ' O ' ' HB3' ' A' ' 49' ' ' MET . 1.1 mm -67.56 -35.45 73.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.34 111.098 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.739 HD22 ' HB3' ' A' ' 22' ' ' LEU . 29.0 mt -61.94 -34.44 76.11 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.702 -0.481 . . . . 0.26 109.702 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -73.82 -48.77 28.95 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.036 -0.529 . . . . 0.97 112.133 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 44' ' ' SER . 4.0 ptpt -66.24 -38.0 86.85 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.757 -0.377 . . . . 0.77 110.709 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.487 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -71.09 -29.08 64.84 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.237 -0.438 . . . . 1.07 110.695 179.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.07 -28.98 48.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.804 0.335 . . . . 0.22 111.157 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.563 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -83.53 -35.67 24.62 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.436 0.532 . . . . 0.3 112.436 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -98.69 -34.03 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 122.381 -0.199 . . . . 0.37 111.455 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.702 HD13 ' HA ' ' A' ' 85' ' ' SER . 29.7 mt 54.46 71.52 1.32 Allowed Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.817 -0.629 . . . . 0.41 111.12 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.24 110.97 2.97 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 123.262 2.641 . . . . 0.48 112.461 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.7 mtp -79.84 -27.36 40.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.336 -0.393 . . . . 1.66 110.849 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -126.92 166.73 16.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.157 -0.474 . . . . 2.68 110.321 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.583 ' HA ' ' HB2' ' A' ' 60' ' ' PHE . 31.9 t70 -64.67 -24.43 67.57 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.96 0.41 . . . . 2.68 111.632 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -36.98 80.63 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.126 0.489 . . . . 1.02 109.811 178.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.04 -28.57 32.39 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.519 0.676 . . . . 0.62 109.714 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.583 ' HB2' ' HA ' ' A' ' 57' ' ' ASP . 1.5 m-85 -62.15 -24.99 67.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.255 -0.884 . . . . 0.46 109.964 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.53 -24.92 64.08 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.654 -0.703 . . . . 0.67 111.263 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.7 8.57 40.43 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.054 0.39 . . . . 1.13 112.054 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.441 HD22 ' HB2' ' A' ' 48' ' ' LYS . 2.2 mt -88.65 17.65 5.31 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.031 0.443 . . . . 0.68 110.276 178.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.73 -104.74 3.21 Favored Glycine 0 N--CA 1.438 -1.227 0 N-CA-C 110.816 -0.914 . . . . 1.61 110.816 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.11 76.4 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.813 0.307 . . . . 2.55 111.824 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.2 m -80.61 127.39 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.134 -0.626 . . . . 0.89 109.841 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HB2' ' HD2' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -73.75 162.23 29.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.812 -0.631 . . . . 2.42 109.818 -179.642 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.641 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 15.8 t70 -58.28 -34.08 70.13 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.885 -0.326 . . . . 1.72 110.27 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.409 ' HA ' ' HG3' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -63.36 -28.52 70.05 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.868 0.365 . . . . 1.97 110.583 179.023 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.442 ' HD2' ' HB2' ' A' ' 67' ' ' GLU . 39.4 m-85 -78.44 -33.44 48.51 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 108.915 -0.772 . . . . 1.29 108.915 178.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.653 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 6.2 mtm-85 -68.48 -31.6 70.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.721 -1.127 . . . . 2.55 110.264 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.641 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 8.6 mmt180 -51.79 -63.86 1.0 Allowed 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.681 -0.691 . . . . 4.38 111.231 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -3.21 50.44 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.901 -0.32 . . . . 1.44 110.919 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.653 ' HB2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -60.22 -35.97 76.63 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.131 0.491 . . . . 0.36 110.144 179.35 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 5.1 ptmt -61.19 -24.97 66.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.265 -0.88 . . . . 1.72 111.328 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.35 -8.62 58.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.836 0.35 . . . . 0.99 110.649 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.717 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.2 OUTLIER -103.73 -13.66 16.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.92 -0.582 . . . . 0.27 110.371 179.166 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -53.7 -34.12 57.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.985 -0.552 . . . . 1.37 112.483 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.12 -32.88 74.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.135 0.493 . . . . 0.56 111.089 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.29 -43.06 14.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.757 -0.656 . . . . 0.53 111.223 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.61 ' O ' ' HB2' ' A' ' 85' ' ' SER . 34.1 mt -59.03 -47.34 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.539 -0.301 . . . . 0.55 110.244 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.53 -44.87 89.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.08 -0.509 . . . . 0.53 111.22 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.81 -55.55 31.72 Favored 'General case' 0 CA--C 1.518 -0.258 0 O-C-N 123.569 0.543 . . . . 1.4 110.846 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.647 HD13 HG23 ' A' ' 18' ' ' THR . 11.0 mt -63.22 -27.85 69.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.615 -0.266 . . . . 0.48 111.459 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.702 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -71.41 -26.71 62.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.744 -0.465 . . . . 1.37 109.744 178.562 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -4.87 59.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.18 0.514 . . . . 3.07 110.037 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -106.27 -33.83 7.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.383 -0.826 . . . . 2.78 110.609 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.417 ' HE ' ' HB3' ' A' ' 88' ' ' ARG . 0.4 OUTLIER -69.8 -1.13 8.44 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.502 0.556 . . . . 3.01 112.502 -178.779 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.02 -36.33 83.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 3.17 110.316 179.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.4 p -146.7 -75.72 0.2 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.798 0.332 . . . . 3.96 110.379 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.012 -0.994 . . . . 6.44 109.435 179.57 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.706 0.765 . . . . 6.57 110.242 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mt -71.33 -35.05 71.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.932 -1.031 . . . . 5.39 111.209 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -88.35 37.73 0.83 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.099 0.476 . . . . 3.15 110.999 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -64.32 -26.87 68.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.232 0.539 . . . . 2.24 110.408 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.822 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -61.64 -28.25 69.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.226 -0.897 . . . . 0.91 111.599 179.766 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -35.08 79.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.882 0.373 . . . . 3.67 110.744 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.8 ttt -68.67 -36.18 78.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.638 -0.71 . . . . 2.93 109.86 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.749 ' HA ' HD22 ' A' ' 84' ' ' LEU . 2.6 m -61.05 -45.93 92.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.77 -0.65 . . . . 0.38 109.519 178.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -63.5 -38.76 92.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.546 -0.752 . . . . 0.61 110.457 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.33 -48.29 78.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.186 -0.461 . . . . 2.35 111.355 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.597 ' HG2' HG22 ' A' ' 80' ' ' THR . 0.0 OUTLIER -60.04 -32.16 70.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.104 0.478 . . . . 3.57 110.218 179.577 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.818 ' HB3' HD22 ' A' ' 46' ' ' LEU . 5.1 mt -76.15 -39.81 54.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.913 -0.585 . . . . 0.33 110.719 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -37.98 78.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.367 . . . . 3.33 110.77 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.21 -36.23 69.11 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.416 0.627 . . . . 2.36 110.363 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.545 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -74.88 -37.74 62.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.779 -0.646 . . . . 0.28 109.936 -179.657 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -64.0 -36.68 84.76 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.051 -0.522 . . . . 0.86 111.058 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mp -75.56 -30.31 59.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.358 0.599 . . . . 0.6 109.639 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -72.27 -65.6 0.76 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.44 -0.8 . . . . 1.31 111.634 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.08 -37.1 83.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.076 -0.511 . . . . 0.49 111.591 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.14 -37.52 95.05 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.958 -0.639 . . . . 0.65 113.494 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -95.07 -13.88 24.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 117.082 0.441 . . . . 1.94 111.762 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.615 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -88.7 -9.0 53.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.906 0.86 . . . . 3.82 109.379 179.226 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.21 133.3 36.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.202 -0.908 . . . . 1.84 108.712 177.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.5 t -122.27 121.52 27.78 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.632 -0.507 . . . . 1.87 109.632 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 56.2 Cg_endo -70.5 148.89 89.39 Favored 'Cis proline' 0 C--N 1.345 0.37 0 C-N-CA 123.746 -1.356 . . . . 1.86 112.335 0.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 35' ' ' PRO . 77.2 Cg_exo -54.63 139.42 76.28 Favored 'Trans proline' 0 CA--C 1.516 -0.385 0 C-N-CA 122.731 2.287 . . . . 1.42 112.661 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -71.19 -28.84 33.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.229 -0.896 . . . . 2.02 111.117 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.99 -55.97 4.81 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.77 -0.932 . . . . 1.27 110.77 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.31 82.25 2.0 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.381 -0.6 . . . . 2.13 109.381 178.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.694 ' HZ ' ' HB2' ' A' ' 76' ' ' TYR . 26.5 t80 -52.83 -43.25 65.87 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.574 -0.739 . . . . 0.52 110.668 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.595 ' HB3' HD21 ' A' ' 46' ' ' LEU . 6.7 tpp -148.65 117.56 4.01 Favored Pre-proline 0 N--CA 1.44 -0.967 0 N-CA-C 108.096 -1.076 . . . . 0.28 108.096 177.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -57.18 144.19 91.2 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.965 2.443 . . . . 0.29 111.683 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.452 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.8 t70 -49.58 -41.11 40.89 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.319 0.648 . . . . 1.51 111.681 -179.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.596 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 15.7 m -62.99 -42.46 99.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.546 -0.297 . . . . 0.57 111.352 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.47 ' O ' ' HB3' ' A' ' 49' ' ' MET . 2.5 mm -71.35 -35.1 56.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 0.34 110.047 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.818 HD22 ' HB3' ' A' ' 22' ' ' LEU . 83.1 mt -61.72 -36.5 81.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.996 -0.547 . . . . 0.26 109.925 178.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -71.82 -45.17 62.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.97 112.124 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 44' ' ' SER . 4.4 ptpt -71.22 -39.22 71.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.962 0.411 . . . . 0.77 111.12 -179.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.47 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -68.65 -30.75 69.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.241 -0.436 . . . . 1.07 110.361 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.09 -30.19 49.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 0.22 110.928 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.822 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -83.83 -40.28 18.89 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.189 -0.459 . . . . 0.3 111.908 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.9 mp -88.29 -37.15 10.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 C-N-CA 120.352 -0.539 . . . . 0.37 111.101 -178.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.655 HD13 ' HA ' ' A' ' 85' ' ' SER . 22.8 mt 50.57 70.83 1.78 Allowed Pre-proline 0 C--O 1.236 0.352 0 CA-C-O 121.218 0.532 . . . . 0.41 110.334 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.516 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 5.8 Cg_exo -78.99 124.46 6.12 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 123.01 2.473 . . . . 0.48 113.006 -178.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -45.6 69.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.629 -0.714 . . . . 1.66 111.147 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.55 -172.99 3.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.22 -0.446 . . . . 2.68 110.509 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.642 ' HA ' ' HB2' ' A' ' 60' ' ' PHE . 17.2 t70 -56.31 -31.08 63.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.995 -0.548 . . . . 2.68 112.455 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -51.54 59.85 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.041 0.448 . . . . 1.02 111.261 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.04 -30.2 39.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.209 -0.45 . . . . 0.62 110.954 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.642 ' HB2' ' HA ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -53.53 -24.46 13.49 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.095 -0.502 . . . . 0.46 112.351 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.82 -25.12 64.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.525 -0.307 . . . . 0.67 111.683 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.3 p -79.19 -1.87 38.33 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.951 0.352 . . . . 1.13 111.951 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.426 HD22 ' HB2' ' A' ' 48' ' ' LYS . 3.1 mt -82.48 -8.21 59.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.899 0.38 . . . . 0.68 110.419 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.23 45.4 3.04 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.383 -0.913 . . . . 1.61 112.38 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 51.09 79.65 0.09 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.285 0.634 . . . . 2.55 112.259 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.8 m -70.91 148.37 10.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.054 -0.521 . . . . 0.89 110.492 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.546 ' HB3' ' HG2' ' A' ' 69' ' ' LYS . 4.9 mt-10 -71.85 152.68 42.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.135 -0.484 . . . . 2.42 110.529 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.594 ' HA ' ' HB2' ' A' ' 71' ' ' ARG . 27.7 t70 -59.34 -34.07 71.91 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.24 -0.436 . . . . 1.72 110.478 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.546 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -62.37 -29.16 70.27 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.918 0.39 . . . . 1.97 110.817 178.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.467 ' HD2' ' HB2' ' A' ' 67' ' ' GLU . 73.9 m-85 -88.86 -33.32 17.39 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 108.942 -0.762 . . . . 1.29 108.942 178.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.655 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -63.53 -36.94 85.45 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.539 -1.21 . . . . 2.55 111.522 179.7 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.29 -40.51 62.22 Favored 'General case' 0 N--CA 1.421 -1.909 0 N-CA-C 112.087 0.403 . . . . 4.38 112.087 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -84.06 -1.79 55.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.592 0.711 . . . . 1.44 109.815 -179.654 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.655 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -60.81 -35.58 76.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.854 -1.066 . . . . 0.36 111.123 178.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -23.16 17.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.531 -0.759 . . . . 1.72 113.04 -179.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.694 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 63.4 m-85 -74.26 -9.44 58.61 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.777 0.322 . . . . 0.99 110.765 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.571 ' CE1' HD23 ' A' ' 22' ' ' LEU . 3.5 m-85 -112.01 -11.57 13.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.208 -0.451 . . . . 0.27 110.492 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.38 -36.79 10.14 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.061 1.134 . . . . 1.37 114.061 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.71 -34.35 52.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.162 0.506 . . . . 0.56 110.819 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.597 HG22 ' HG2' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -73.14 -46.09 53.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.47 -0.786 . . . . 0.53 111.322 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 77' ' ' PHE . 24.5 mt -59.57 -34.74 55.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.308 -0.405 . . . . 0.55 110.256 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.61 -37.1 60.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.53 111.617 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.05 -40.48 75.07 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.943 0.401 . . . . 1.4 110.743 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.749 HD22 ' HA ' ' A' ' 18' ' ' THR . 13.0 mt -76.26 -30.09 57.71 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.899 0.703 . . . . 0.48 112.899 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.655 ' HA ' HD13 ' A' ' 53' ' ' LEU . 4.7 p -71.66 -27.17 62.88 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.915 -0.491 . . . . 1.37 111.474 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.85 -23.17 24.07 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.123 0.416 . . . . 3.07 112.123 -178.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.653 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -107.24 -19.09 13.7 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.457 0.91 . . . . 2.78 113.457 -177.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.601 ' HB3' ' O ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -69.83 -15.74 63.15 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.194 0.521 . . . . 3.01 109.938 179.32 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.17 4.83 11.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.204 -0.907 . . . . 3.17 110.191 179.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m 62.56 31.76 16.78 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.677 -0.692 . . . . 3.96 111.14 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.984 0 CA-C-O 117.881 -1.057 . . . . 6.44 109.4 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 121.572 0.701 . . . . 6.57 109.565 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mt -73.3 166.1 23.81 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.029 -0.987 . . . . 5.39 110.16 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.7 91.64 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.194 0.521 . . . . 3.15 112.136 -178.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.409 ' OD1' ' HG3' ' A' ' 88' ' ' ARG . 3.6 t-20 -69.65 -34.47 74.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.567 -0.742 . . . . 2.24 110.207 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -35.59 76.75 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.5 -0.556 . . . . 0.91 109.5 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -38.14 78.53 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.017 -0.735 . . . . 3.67 109.017 178.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.441 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 1.7 ttt -62.01 -44.45 96.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.447 -0.797 . . . . 2.93 109.824 178.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.581 ' HA ' HD22 ' A' ' 84' ' ' LEU . 22.6 m -65.94 -44.92 83.64 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.022 -0.535 . . . . 0.38 111.103 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.479 ' CE1' ' HG3' ' A' ' 47' ' ' LYS . 9.0 t80 -65.68 -41.18 92.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.461 -0.791 . . . . 0.61 111.207 -179.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.489 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 4.5 mm-40 -75.65 -31.04 59.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.405 -0.361 . . . . 2.35 111.577 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 17' ' ' MET . 0.1 OUTLIER -68.83 -32.34 71.97 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.247 -0.649 . . . . 3.57 109.247 178.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.762 ' HB3' HD22 ' A' ' 46' ' ' LEU . 2.2 mt -73.64 -34.5 65.0 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.584 -0.735 . . . . 0.33 109.917 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.455 HH11 ' HD2' ' A' ' 23' ' ' ARG . 1.3 ttp180 -69.11 -41.78 76.95 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.27 -0.877 . . . . 3.33 110.362 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -68.2 -38.37 81.9 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.474 0.654 . . . . 2.36 110.132 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.588 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -68.03 -34.92 77.39 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.394 -0.821 . . . . 0.28 109.457 178.724 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.509 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -67.95 -35.39 78.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.618 -0.719 . . . . 0.86 111.414 179.879 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.25 -31.59 69.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.314 -0.403 . . . . 0.6 111.106 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.22 -54.45 4.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 1.31 111.865 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.536 ' HG ' HD22 ' A' ' 25' ' ' LEU . 28.1 mt -58.27 -37.63 75.36 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.465 0.543 . . . . 0.49 112.465 -179.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.4 -34.12 73.75 Favored Glycine 0 C--O 1.23 -0.143 0 C-N-CA 120.869 -0.682 . . . . 0.65 112.546 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -89.53 -14.69 34.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.432 0.634 . . . . 1.94 110.327 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.505 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -91.32 -4.22 56.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.737 -0.665 . . . . 3.82 110.946 -179.675 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -53.67 23.98 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.122 -0.49 . . . . 1.84 111.109 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 23.8 t 59.76 100.88 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.615 0 O-C-N 123.818 0.699 . . . . 1.87 111.408 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 11.5 Cg_exo -67.63 145.95 75.61 Favored 'Cis proline' 0 C--N 1.348 0.509 0 C-N-CA 123.229 -1.571 . . . . 1.86 112.446 0.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 35' ' ' PRO . 53.0 Cg_exo -53.9 132.01 47.4 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.07 2.513 . . . . 1.42 112.029 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.8 t -73.98 -26.67 21.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.975 -0.557 . . . . 2.02 111.042 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.63 -53.14 4.69 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.38 -1.088 . . . . 1.27 110.38 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -133.41 87.79 2.42 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.609 -0.886 . . . . 2.13 108.609 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.568 ' HZ ' ' HB2' ' A' ' 76' ' ' TYR . 8.3 t80 -50.38 -78.79 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 O-C-N 124.168 0.917 . . . . 0.52 109.649 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.83 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 7.1 tpp -116.98 127.97 26.35 Favored Pre-proline 0 C--N 1.319 -0.753 0 N-CA-C 108.875 -0.787 . . . . 0.28 108.875 177.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 41' ' ' MET . 24.5 Cg_exo -64.15 150.06 89.1 Favored 'Trans proline' 0 C--O 1.238 0.492 0 C-N-CA 122.204 1.936 . . . . 0.29 111.573 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.506 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -51.28 -36.27 41.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.044 0.84 . . . . 1.51 111.495 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.461 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -62.32 -53.5 54.12 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.747 -0.66 . . . . 0.57 111.677 -179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.457 ' O ' ' HB3' ' A' ' 49' ' ' MET . 40.4 mm -64.73 -35.58 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.34 111.165 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.762 HD22 ' HB3' ' A' ' 22' ' ' LEU . 70.3 mt -61.47 -35.99 79.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.198 -0.455 . . . . 0.26 111.002 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 18.7 mttt -70.42 -51.65 27.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.316 0.487 . . . . 0.97 112.316 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -67.59 -38.53 84.16 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.872 0.323 . . . . 0.77 111.872 -178.724 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.457 ' HB3' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -69.86 -30.15 67.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.425 -0.352 . . . . 1.07 110.373 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.67 -31.62 65.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.606 -0.27 . . . . 0.22 111.397 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.22 -45.44 15.05 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.168 0.433 . . . . 0.3 112.168 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 mp -82.05 -38.23 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 111.765 0.283 . . . . 0.37 111.765 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 53' ' ' LEU . 4.8 mt 54.75 69.49 2.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 O-C-N 123.803 0.689 . . . . 0.41 110.457 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.428 ' HG2' ' CE1' ' A' ' 60' ' ' PHE . 24.7 Cg_exo -61.49 109.8 0.81 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.545 2.164 . . . . 0.48 111.877 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -15.34 60.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.932 -0.576 . . . . 1.66 110.931 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -143.67 162.98 34.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 2.68 110.553 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.93 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 0.1 OUTLIER -67.99 -14.57 63.07 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.986 0.422 . . . . 2.68 111.066 -179.511 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -44.52 60.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.141 0.496 . . . . 1.02 110.483 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.84 -27.11 68.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.62 0.724 . . . . 0.62 110.639 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.93 ' HD2' ' HA ' ' A' ' 57' ' ' ASP . 2.9 m-85 -53.6 -25.98 19.87 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.968 -1.014 . . . . 0.46 113.0 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.45 -26.14 66.52 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.034 0.383 . . . . 0.67 112.034 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.6 -2.2 57.91 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 122.059 -0.401 . . . . 1.13 111.841 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 63' ' ' LEU . 4.8 mt -72.25 -25.27 61.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.434 0.635 . . . . 0.68 109.516 178.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.7 -113.22 1.73 Allowed Glycine 0 N--CA 1.439 -1.166 0 N-CA-C 111.128 -0.789 . . . . 1.61 111.128 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.39 72.43 1.5 Allowed 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 120.545 0.212 . . . . 2.55 110.636 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.27 129.07 35.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 N-CA-C 109.901 -0.407 . . . . 0.89 109.901 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.412 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.6 OUTLIER -49.44 150.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.897 -0.592 . . . . 2.42 111.651 -179.119 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.07 -39.69 79.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.407 0.622 . . . . 1.72 109.568 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.474 ' O ' ' HD2' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -71.88 -26.5 62.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.088 -0.96 . . . . 1.97 110.518 179.173 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.481 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . 14.1 m-30 -73.68 -39.21 64.58 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.057 -0.72 . . . . 1.29 109.057 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.762 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -69.35 -34.26 74.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.925 -0.768 . . . . 2.55 108.925 177.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.461 ' O ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -64.1 -49.55 71.81 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.479 -0.782 . . . . 4.38 111.082 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.481 ' CD ' ' HA ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -83.15 -4.32 58.26 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.592 -0.443 . . . . 1.44 110.912 179.879 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.762 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -53.57 -31.15 45.49 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.201 -0.454 . . . . 0.36 110.151 178.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.461 ' HD3' ' O ' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -57.06 -24.32 53.04 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.9 -0.591 . . . . 1.72 111.931 179.619 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.568 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 75.9 m-85 -81.33 -10.21 59.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.17 0.509 . . . . 0.99 110.306 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.83 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.2 OUTLIER -106.69 -16.76 14.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.193 -0.912 . . . . 0.27 109.889 179.027 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -30.75 64.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.987 -0.552 . . . . 1.37 111.428 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.62 -31.28 66.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.995 0.426 . . . . 0.56 110.686 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -44.33 14.35 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.716 -0.674 . . . . 0.53 111.497 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 77' ' ' PHE . 51.4 mt -59.16 -34.72 54.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.424 -0.353 . . . . 0.55 110.559 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.21 -26.99 47.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.916 0.389 . . . . 0.53 111.431 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -82.59 -42.23 18.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.509 -0.314 . . . . 1.4 111.417 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.581 HD22 ' HA ' ' A' ' 18' ' ' THR . 6.3 mt -64.27 -28.56 69.81 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.876 0.324 . . . . 0.48 111.876 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.25 -30.05 64.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.267 0.556 . . . . 1.37 110.468 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm -80.96 -32.14 34.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.821 -0.627 . . . . 3.07 109.73 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -81.36 -12.64 58.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.666 -0.697 . . . . 2.78 110.624 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' HG3' ' OD1' ' A' ' 14' ' ' ASN . 0.6 OUTLIER -68.84 -22.1 64.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.787 -0.642 . . . . 3.01 111.154 179.821 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.97 52.84 1.1 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.338 -0.392 . . . . 3.17 111.756 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 52.82 40.68 31.08 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.123 0.569 . . . . 3.96 112.284 178.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.297 -0.859 . . . . 6.44 110.212 179.556 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.731 ' HA ' ' HG2' ' A' ' 91' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--O 1.235 0.301 0 CA-C-O 121.189 0.519 . . . . 6.57 110.048 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.444 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -117.52 -2.99 11.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.749 -0.66 . . . . 5.39 111.096 -178.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -76.63 -48.65 18.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.96 -0.756 . . . . 3.15 108.96 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.589 ' HB3' ' HG2' ' A' ' 88' ' ' ARG . 2.9 t-20 -74.94 -21.11 59.38 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.123 -0.695 . . . . 2.24 109.123 178.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.62 HD11 ' HA ' ' A' ' 51' ' ' ALA . 1.6 tt -62.82 -33.2 74.72 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 115.648 -0.706 . . . . 0.91 109.327 178.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -38.04 86.59 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.422 -0.955 . . . . 3.67 108.422 178.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -36.72 80.56 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.697 -0.683 . . . . 2.93 110.022 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.572 ' HA ' HD22 ' A' ' 84' ' ' LEU . 7.6 m -58.84 -52.82 64.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.457 0.646 . . . . 0.38 109.307 178.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.429 ' CE1' ' HG3' ' A' ' 47' ' ' LYS . 73.1 t80 -63.43 -39.92 95.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.084 -0.962 . . . . 0.61 110.635 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.5 -47.1 85.45 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.775 -0.648 . . . . 2.35 111.014 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -64.08 -32.96 74.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.993 0.425 . . . . 3.57 110.922 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.891 ' HB3' HD22 ' A' ' 46' ' ' LEU . 4.4 mt -66.91 -36.47 82.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.118 -0.492 . . . . 0.33 110.098 179.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -76.39 -38.63 55.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.119 0.485 . . . . 3.33 110.343 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' HG2' ' NH2' ' A' ' 21' ' ' ARG . 3.1 tp10 -64.51 -35.05 79.71 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.229 -0.656 . . . . 2.36 109.229 178.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.581 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -76.55 -35.63 58.13 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.191 -0.913 . . . . 0.28 109.343 179.035 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.683 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 1.5 t -63.77 -36.82 85.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.86 111.158 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 mp -80.85 -33.08 34.78 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.452 -0.499 . . . . 0.6 110.788 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -71.75 -52.01 19.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.883 0.373 . . . . 1.31 110.454 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.581 ' HG ' HD22 ' A' ' 25' ' ' LEU . 46.5 mt -65.33 -40.11 93.27 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.945 -0.57 . . . . 0.49 109.881 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' A' ' 36' ' ' PRO . . . -60.78 -43.54 99.05 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.708 -0.758 . . . . 0.65 112.474 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.498 ' HA ' ' HB3' ' A' ' 36' ' ' PRO . 44.5 t30 -72.02 -16.46 62.06 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.374 0.606 . . . . 1.94 110.861 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -87.68 -4.97 58.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.902 0.858 . . . . 3.82 109.545 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 6.2 mtt -104.8 159.82 15.48 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.065 -0.971 . . . . 1.84 109.817 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.3 t -125.75 118.44 24.29 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 110.071 -0.344 . . . . 1.87 110.071 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.46 152.72 90.86 Favored 'Cis proline' 0 C--O 1.237 0.455 0 C-N-CA 123.159 -1.6 . . . . 1.86 112.471 0.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.537 ' HA ' ' O ' ' A' ' 30' ' ' GLY . 53.3 Cg_exo -51.04 127.35 21.45 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.484 2.123 . . . . 1.42 112.082 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.07 102.85 14.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.388 -0.823 . . . . 2.02 111.732 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.31 -32.26 75.57 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 110.497 -1.041 . . . . 1.27 110.497 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -105.87 66.19 0.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 107.865 -1.161 . . . . 2.13 107.865 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.683 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 27.0 t80 -61.11 -42.56 98.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.762 -1.108 . . . . 0.52 109.729 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.626 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 5.9 tpp -132.57 131.89 22.43 Favored Pre-proline 0 C--N 1.317 -0.818 0 N-CA-C 108.005 -1.109 . . . . 0.28 108.005 177.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.772 ' HG2' ' HE2' ' A' ' 70' ' ' TYR . 72.1 Cg_exo -54.01 140.52 69.59 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.826 2.351 . . . . 0.29 112.923 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -51.66 -43.67 62.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.955 -1.02 . . . . 1.51 111.572 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.424 ' O ' ' HE2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -65.0 -48.12 75.06 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.674 -0.694 . . . . 0.57 111.364 -179.607 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.406 HD13 ' HE3' ' A' ' 48' ' ' LYS . 4.8 mm -63.35 -36.7 77.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.383 -0.371 . . . . 0.34 111.001 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.891 HD22 ' HB3' ' A' ' 22' ' ' LEU . 48.1 mt -63.83 -38.6 91.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.913 0.387 . . . . 0.26 111.101 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.429 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 20.0 mttt -67.28 -46.41 73.71 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.974 0.731 . . . . 0.97 112.974 -178.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' HE2' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -69.97 -39.72 75.82 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.625 -0.43 . . . . 0.77 111.384 -179.328 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.473 ' HA ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -66.09 -32.02 73.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.843 -0.617 . . . . 1.07 110.54 -179.658 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.44 -28.35 52.44 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.239 0.542 . . . . 0.22 110.777 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.62 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -77.92 -36.78 49.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.208 0.447 . . . . 0.3 112.208 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mp -97.8 -34.57 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 111.774 0.287 . . . . 0.37 111.774 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.834 HD13 ' HA ' ' A' ' 85' ' ' SER . 18.4 mt 59.02 75.75 0.49 Allowed Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.563 -0.744 . . . . 0.41 111.14 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -76.67 106.26 2.22 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.981 2.454 . . . . 0.48 112.462 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.482 ' HG2' ' HA ' ' A' ' 82' ' ' ALA . 1.6 mtp -84.35 -11.77 55.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.237 0.541 . . . . 1.66 110.212 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -126.59 155.24 42.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.756 -0.656 . . . . 2.68 110.524 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 60' ' ' PHE . 0.2 OUTLIER -68.04 -27.64 66.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.726 -0.67 . . . . 2.68 111.43 -179.639 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.3 -30.64 70.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.253 0.549 . . . . 1.02 110.348 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.73 -26.31 60.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.791 -0.641 . . . . 0.62 110.261 179.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.722 ' HE2' ' HE3' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -60.18 -27.32 67.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.466 -0.788 . . . . 0.46 112.122 -179.497 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.6 -26.06 66.07 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.01 0.374 . . . . 0.67 112.01 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -7.31 59.64 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.193 0.442 . . . . 1.13 112.193 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.473 HD21 ' HA ' ' A' ' 49' ' ' MET . 12.8 mt -65.83 -36.17 82.74 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 108.66 -0.867 . . . . 0.68 108.66 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.12 44.15 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.831 0 CA-C-N 114.572 -1.195 . . . . 1.61 110.751 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 48.56 77.78 0.09 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.772 0.829 . . . . 2.55 112.061 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.8 m -72.01 139.95 18.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.815 -0.63 . . . . 0.89 110.653 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.623 ' HB3' ' HD3' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -67.0 157.18 34.08 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.903 -0.406 . . . . 2.42 109.903 179.748 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.98 -35.93 76.06 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.138 -0.225 . . . . 1.72 111.076 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.623 ' HD3' ' HB3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -65.21 -25.99 67.94 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.923 0.392 . . . . 1.97 111.002 179.709 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.772 ' HE2' ' HG2' ' A' ' 42' ' ' PRO . 40.3 m-85 -76.48 -33.01 58.69 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.083 -0.71 . . . . 1.29 109.083 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.713 ' HA ' ' HB2' ' A' ' 74' ' ' PHE . 5.1 mtm105 -67.31 -31.14 71.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.137 -0.938 . . . . 2.55 109.769 178.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.628 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 7.5 mmm180 -50.44 -56.37 11.77 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.297 -0.865 . . . . 4.38 112.137 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.561 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -88.54 -3.27 58.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.197 0.523 . . . . 1.44 109.9 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.713 ' HB2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -63.42 -35.28 79.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.812 -0.631 . . . . 0.36 109.724 178.828 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 18.1 ptpt -61.08 -24.88 66.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.192 -0.913 . . . . 1.72 111.937 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 73' ' ' ARG . 65.5 m-85 -78.21 -9.31 59.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.99 110.564 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.626 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 5.2 m-85 -108.24 -16.96 14.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.201 -0.454 . . . . 0.27 110.557 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.722 ' HE3' ' HE2' ' A' ' 60' ' ' PHE . 0.1 OUTLIER -49.54 -34.65 18.0 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.819 1.044 . . . . 1.37 113.819 -177.592 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.93 -36.47 69.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.914 -0.492 . . . . 0.56 111.198 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.39 -43.31 33.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.852 -0.613 . . . . 0.53 111.776 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 77' ' ' PHE . 19.6 mt -59.88 -34.06 54.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.55 110.377 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.482 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -75.43 -27.18 58.86 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.067 0.46 . . . . 0.53 110.956 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -82.59 -46.97 12.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 1.4 111.331 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.572 HD22 ' HA ' ' A' ' 18' ' ' THR . 11.8 mt -62.01 -28.51 69.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.076 -0.511 . . . . 0.48 112.031 -179.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.834 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -69.67 -27.56 65.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.826 0.346 . . . . 1.37 111.433 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.4 -3.44 56.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.891 0.377 . . . . 3.07 111.03 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -110.19 -30.59 7.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.1 -0.5 . . . . 2.78 110.675 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.589 ' HG2' ' HB3' ' A' ' 14' ' ' ASN . 1.3 ttp180 -83.39 -1.74 54.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 3.01 111.391 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -34.44 61.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.247 0.546 . . . . 3.17 109.557 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.8 104.14 15.81 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.266 -0.879 . . . . 3.96 110.91 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.731 ' HG2' ' HA ' ' A' ' 11' ' ' GLU . 7.4 tp10 . . . . . 0 C--O 1.25 1.085 0 CA-C-N 115.855 -0.611 . . . . 6.44 109.561 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 CA--C 1.535 0.367 0 N-CA-C 112.355 0.502 . . . . 6.57 112.355 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.71 -41.62 83.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.275 0.559 . . . . 5.39 111.113 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.9 34.99 1.29 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.327 -0.397 . . . . 3.15 111.215 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -68.13 -45.95 72.22 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.514 0.19 . . . . 2.24 111.514 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -69.37 -33.36 72.95 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.352 -0.539 . . . . 0.91 110.858 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -67.24 -35.27 79.21 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.917 -0.772 . . . . 3.67 108.917 178.639 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -43.23 94.09 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 115.551 -0.75 . . . . 2.93 109.091 177.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.811 HG23 HD13 ' A' ' 84' ' ' LEU . 57.4 m -60.3 -44.36 95.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.777 -0.647 . . . . 0.38 110.252 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -65.05 -44.47 88.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.985 -0.552 . . . . 0.61 110.918 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -67.99 -35.97 79.23 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.062 -0.255 . . . . 2.35 111.335 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -32.73 74.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.184 0.516 . . . . 3.57 110.072 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.756 ' HB3' HD22 ' A' ' 46' ' ' LEU . 7.9 mt -75.25 -32.39 61.07 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.322 -0.622 . . . . 0.33 109.322 177.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 23' ' ' ARG . 13.8 ttt180 -70.31 -40.9 73.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.907 -0.588 . . . . 3.33 109.835 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.79 -36.38 80.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 2.36 110.351 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.689 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -74.57 -33.61 62.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.472 -0.786 . . . . 0.28 110.199 179.517 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.712 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -63.45 -37.05 85.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.748 -0.66 . . . . 0.86 110.836 179.671 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.14 -32.37 56.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.518 0.675 . . . . 0.6 109.713 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -67.96 -56.87 7.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.319 -0.855 . . . . 1.31 111.303 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 76' ' ' TYR . 58.6 mt -68.04 -32.58 73.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 0.49 110.745 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.17 -36.33 92.21 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.623 -0.799 . . . . 0.65 112.097 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -15.19 37.43 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.07 0.462 . . . . 1.94 111.021 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -92.67 -2.95 55.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.598 0.713 . . . . 3.82 109.85 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.61 152.91 18.02 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.444 -0.798 . . . . 1.84 109.136 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.455 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 1.6 t -120.8 114.82 32.38 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 116.109 -0.496 . . . . 1.87 110.234 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 60.8 Cg_endo -85.1 162.49 63.32 Favored 'Cis proline' 0 N--CA 1.458 -0.575 0 C-N-CA 123.171 -1.596 . . . . 1.86 111.954 0.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.42 120.76 6.75 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.754 2.303 . . . . 1.42 112.809 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -75.97 -37.12 33.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.576 -1.193 . . . . 2.02 111.492 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.64 -73.0 2.13 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.349 -1.1 . . . . 1.27 110.349 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -95.43 71.56 3.18 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.716 -0.846 . . . . 2.13 108.716 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.712 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 13.2 t80 -48.48 -77.36 0.02 OUTLIER 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.025 -0.989 . . . . 0.52 110.453 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.733 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 35.2 tpp -107.71 125.07 33.07 Favored Pre-proline 0 N--CA 1.441 -0.907 0 N-CA-C 108.995 -0.742 . . . . 0.28 108.995 178.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -53.03 145.97 39.62 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 123.071 2.514 . . . . 0.29 112.41 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.82 -44.39 66.65 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.794 -0.639 . . . . 1.51 111.425 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.497 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -61.68 -40.43 94.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.852 -0.613 . . . . 0.57 111.04 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.482 ' O ' ' HB3' ' A' ' 49' ' ' MET . 7.3 mm -71.32 -37.22 64.61 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-N 116.211 -0.449 . . . . 0.34 110.777 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.756 HD22 ' HB3' ' A' ' 22' ' ' LEU . 84.1 mt -61.51 -36.55 80.85 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.959 -0.386 . . . . 0.26 109.959 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 mttp -69.68 -50.14 46.75 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.298 0.481 . . . . 0.97 112.298 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -66.44 -39.48 88.92 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 120.67 -0.412 . . . . 0.77 110.91 -179.201 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.566 ' HE3' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -69.2 -29.93 68.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.249 -0.432 . . . . 1.07 110.444 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.31 -31.59 38.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.22 111.202 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.455 ' HA ' HD21 ' A' ' 15' ' ' LEU . . . -78.77 -40.12 34.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.574 -0.284 . . . . 0.3 111.335 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mp -88.8 -35.6 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.458 -0.337 . . . . 0.37 110.992 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 53' ' ' LEU . 15.1 mt 52.89 70.2 1.96 Allowed Pre-proline 0 C--N 1.327 -0.398 0 O-C-N 123.971 0.794 . . . . 0.41 109.883 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.492 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 3.0 Cg_exo -73.21 108.54 2.63 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 123.328 2.686 . . . . 0.48 112.475 -178.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -21.38 42.82 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.913 -0.585 . . . . 1.66 110.467 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -116.99 173.67 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.283 -0.417 . . . . 2.68 110.655 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.06 -13.65 52.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.038 0.447 . . . . 2.68 111.149 -179.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -46.54 56.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.061 0.458 . . . . 1.02 110.447 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 54' ' ' PRO . . . -63.19 -23.97 67.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.224 0.535 . . . . 0.62 110.302 178.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.489 ' HD1' ' HA ' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -62.46 -26.57 68.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.638 -0.71 . . . . 0.46 111.859 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.22 -25.4 68.05 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.872 0.323 . . . . 0.67 111.872 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.04 1.42 35.84 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.008 0.374 . . . . 1.13 112.008 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.5 mt -80.58 -31.94 36.65 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 107.795 -1.187 . . . . 0.68 107.795 177.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.26 -64.7 3.72 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 115.167 -0.924 . . . . 1.61 115.1 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.11 33.12 0.49 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 115.222 1.564 . . . . 2.55 115.222 -176.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.44 ' CG1' HD12 ' A' ' 45' ' ' ILE . 33.7 m -118.47 102.35 13.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.888 0.851 . . . . 0.89 109.342 176.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -77.48 -177.37 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.261 -0.881 . . . . 2.42 110.44 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -54.87 -40.25 69.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.212 -0.449 . . . . 1.72 111.365 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.406 ' HD2' ' H ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -70.92 -31.18 67.71 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.274 -0.421 . . . . 1.97 111.336 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -76.24 -37.6 57.45 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.42 -0.585 . . . . 1.29 109.42 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.845 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 16.3 mmm-85 -69.21 -33.84 73.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.54 -0.755 . . . . 2.55 110.501 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.449 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -65.51 -61.94 1.81 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.734 -0.666 . . . . 4.38 112.356 -179.167 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -4.45 6.76 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.21 0.529 . . . . 1.44 111.127 -179.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.845 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -57.77 -29.15 64.6 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.872 -0.603 . . . . 0.36 110.054 178.027 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 2.0 pttt -52.67 -25.0 9.6 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.215 -0.902 . . . . 1.72 112.345 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.547 ' HB3' HD13 ' A' ' 29' ' ' LEU . 74.8 m-85 -82.68 -8.23 59.61 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 120.951 0.405 . . . . 0.99 111.266 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.733 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.3 OUTLIER -110.92 -12.47 14.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.359 -0.382 . . . . 0.27 110.844 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.04 -34.56 56.98 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.912 0.708 . . . . 1.37 112.912 -177.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.94 -32.29 63.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.162 0.506 . . . . 0.56 110.534 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -51.73 17.01 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.312 -0.858 . . . . 0.53 110.76 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 77' ' ' PHE . 13.1 mt -55.93 -42.53 71.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.457 -0.792 . . . . 0.55 110.909 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.68 -38.02 80.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 0.53 111.959 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -70.62 -39.8 73.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.447 -0.342 . . . . 1.4 111.056 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.811 HD13 HG23 ' A' ' 18' ' ' THR . 27.0 mt -67.68 -31.94 72.25 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.375 0.509 . . . . 0.48 112.375 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -28.97 63.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.171 0.51 . . . . 1.37 109.856 178.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.18 -29.59 48.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.778 -0.646 . . . . 3.07 110.191 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -83.55 -15.22 50.08 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.092 -0.504 . . . . 2.78 111.148 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.86 154.17 38.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 3.01 110.588 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.49 68.22 1.57 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.993 0.425 . . . . 3.17 111.636 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.2 m 56.83 49.13 14.75 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.428 -0.805 . . . . 3.96 111.686 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.931 -0.557 . . . . 6.44 109.696 179.554 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.207 0 CA-C-O 120.876 0.37 . . . . 6.57 110.814 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.3 mt -108.3 -8.32 15.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.588 0.708 . . . . 5.39 109.741 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.813 ' HB2' ' HB3' ' A' ' 16' ' ' ARG . 16.5 p-10 -88.14 50.83 2.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.19 -0.914 . . . . 3.15 111.958 -179.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -46.6 85.74 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.871 -0.418 . . . . 2.24 109.871 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.751 HD11 ' HA ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -82.54 -30.95 29.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.751 -0.659 . . . . 0.91 110.351 178.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.813 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -65.47 -38.19 89.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.951 -0.568 . . . . 3.67 110.664 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.2 ttm -61.36 -41.91 97.85 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.287 -0.635 . . . . 2.93 109.287 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.586 HG23 HD13 ' A' ' 84' ' ' LEU . 1.5 m -63.3 -48.65 77.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.305 -0.861 . . . . 0.38 110.562 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.453 ' CE1' ' HG3' ' A' ' 47' ' ' LYS . 89.2 t80 -62.06 -43.2 99.35 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.871 -0.604 . . . . 0.61 111.092 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -41.91 77.31 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.026 -0.533 . . . . 2.35 111.21 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.19 -40.55 94.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.251 0.548 . . . . 3.57 110.974 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.674 ' HB3' HD22 ' A' ' 46' ' ' LEU . 1.1 mt -68.26 -36.89 80.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.693 -0.685 . . . . 0.33 110.209 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -45.62 91.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.261 0.553 . . . . 3.33 110.519 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.89 -34.61 76.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.612 -0.722 . . . . 2.36 111.025 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.696 ' HB3' ' HE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -74.52 -32.05 62.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.194 -0.457 . . . . 0.28 110.277 -179.501 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.712 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 23.5 m -66.68 -36.36 82.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.946 0.403 . . . . 0.86 110.076 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -74.65 -32.02 62.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.851 -0.613 . . . . 0.6 110.627 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.08 -55.92 5.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.991 -0.55 . . . . 1.31 111.78 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.585 ' HG ' HD22 ' A' ' 25' ' ' LEU . 67.1 mt -64.94 -41.3 95.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.532 -0.304 . . . . 0.49 111.44 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.74 -43.38 97.86 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.794 -0.717 . . . . 0.65 113.159 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -78.07 -13.41 59.88 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 117.194 0.497 . . . . 1.94 111.54 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.57 -4.91 47.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.958 0.408 . . . . 3.82 110.579 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.82 159.24 21.44 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.585 -0.524 . . . . 1.84 109.585 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 42.7 t -136.3 111.88 10.06 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.578 -0.283 . . . . 1.87 110.596 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 13.4 Cg_exo -70.75 149.34 90.8 Favored 'Cis proline' 0 C--N 1.347 0.498 0 C-N-CA 123.685 -1.381 . . . . 1.86 112.128 -0.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' PRO . 52.2 Cg_exo -57.65 130.58 39.45 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.649 2.233 . . . . 1.42 112.491 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.39 121.9 36.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.735 -0.666 . . . . 2.02 109.518 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.54 -53.54 43.06 Favored Glycine 0 CA--C 1.504 -0.651 0 N-CA-C 110.716 -0.954 . . . . 1.27 110.716 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -114.84 93.56 4.37 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 122.285 1.04 . . . . 2.13 109.467 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.712 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 17.7 t80 -60.58 -57.63 11.91 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.251 -0.886 . . . . 0.52 108.915 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.706 ' HB2' ' HE2' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -134.63 126.2 17.94 Favored Pre-proline 0 N--CA 1.441 -0.877 0 CA-C-N 115.335 -0.848 . . . . 0.28 108.849 177.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 41' ' ' MET . 26.2 Cg_exo -63.81 148.96 91.73 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.697 2.264 . . . . 0.29 112.345 -178.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -52.48 -37.59 57.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.499 -0.773 . . . . 1.51 110.812 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.557 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -64.05 -52.08 61.07 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.777 -0.647 . . . . 0.57 111.095 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.442 ' O ' ' HB3' ' A' ' 49' ' ' MET . 19.5 mm -64.08 -37.68 80.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.615 -0.72 . . . . 0.34 111.343 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.807 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 50.4 mt -62.0 -35.27 78.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.485 -0.325 . . . . 0.26 110.736 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.453 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 51.8 mttt -72.42 -43.05 64.4 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.194 0.442 . . . . 0.97 112.194 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 44' ' ' SER . 0.1 OUTLIER -73.85 -40.98 62.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.98 0.419 . . . . 0.77 110.739 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.807 ' SD ' ' HA ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -65.88 -31.1 71.85 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.188 -0.46 . . . . 1.07 111.074 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' A' ' 18' ' ' THR . . . -79.29 -27.95 42.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.001 0.429 . . . . 0.22 110.782 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.751 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -84.19 -39.38 19.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.022 -0.536 . . . . 0.3 112.397 -178.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.449 HG21 ' OG1' ' A' ' 62' ' ' THR . 1.2 mp -88.06 -34.37 7.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.693 0.283 . . . . 0.37 110.897 -179.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.549 HD23 HG23 ' A' ' 81' ' ' ILE . 11.1 mt 56.15 65.49 4.21 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 115.704 -0.68 . . . . 0.41 111.589 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.3 113.46 3.77 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.044 2.496 . . . . 0.48 111.579 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.456 ' HG2' ' HA ' ' A' ' 82' ' ' ALA . 3.2 mtp -65.76 -25.96 67.5 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.29 0.478 . . . . 1.66 112.29 -178.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -150.54 -175.39 5.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.066 0.46 . . . . 2.68 111.656 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.666 ' HA ' ' CD2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -61.47 -31.75 71.73 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.083 -0.962 . . . . 2.68 112.34 -178.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -49.07 77.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.831 0.348 . . . . 1.02 111.719 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.31 -26.58 68.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.62 111.621 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.666 ' CD2' ' HA ' ' A' ' 57' ' ' ASP . 2.7 m-30 -50.52 -24.59 3.28 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.397 0.888 . . . . 0.46 113.397 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.48 -23.98 42.89 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.907 0.384 . . . . 0.67 111.507 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.449 ' OG1' HG21 ' A' ' 52' ' ' ILE . 77.5 p -79.13 -25.69 42.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.932 0.396 . . . . 1.13 111.119 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' ' 49' ' ' MET . 5.4 mt -66.5 -34.09 77.14 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.761 0.791 . . . . 0.68 109.724 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.98 -155.33 16.74 Favored Glycine 0 N--CA 1.438 -1.204 0 CA-C-N 114.724 -1.125 . . . . 1.61 111.063 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.28 68.85 9.94 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 111.906 0.336 . . . . 2.55 111.906 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.401 HG12 HD12 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -67.18 134.14 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 109.122 -0.695 . . . . 0.89 109.122 178.561 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.563 ' HG3' ' HD2' ' A' ' 69' ' ' LYS . 4.2 tp10 -57.73 153.11 14.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.149 0.5 . . . . 2.42 111.765 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -39.06 78.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.688 -0.687 . . . . 1.72 110.895 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.563 ' HD2' ' HG3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -70.56 -25.89 63.29 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.028 0.442 . . . . 1.97 110.696 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.484 ' HD2' ' HB3' ' A' ' 67' ' ' GLU . 31.4 m-85 -82.42 -35.6 27.46 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.547 -0.538 . . . . 1.29 109.547 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.729 ' HA ' ' HD2' ' A' ' 74' ' ' PHE . 6.5 ttp180 -65.62 -34.8 79.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.16 0.505 . . . . 2.55 109.922 177.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -68.58 0.28 Allowed 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 115.544 -0.753 . . . . 4.38 112.431 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -4.97 10.82 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.583 0.23 . . . . 1.44 111.492 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.729 ' HD2' ' HA ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -55.54 -31.27 61.99 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 108.486 -0.931 . . . . 0.36 108.486 177.505 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.76 -26.92 15.66 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 114.556 -1.202 . . . . 1.72 112.004 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.496 ' HB2' ' HZ ' ' A' ' 40' ' ' PHE . 52.2 m-85 -79.58 -8.89 59.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.084 0.468 . . . . 0.99 111.077 -179.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.706 ' HE2' ' HB2' ' A' ' 41' ' ' MET . 0.9 OUTLIER -112.02 -15.76 13.22 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.109 -0.496 . . . . 0.27 110.51 178.749 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -32.19 70.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.146 -0.479 . . . . 1.37 112.014 -178.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.02 -33.7 65.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.037 0.446 . . . . 0.56 111.01 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.16 -46.81 14.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.955 -0.566 . . . . 0.53 111.812 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.549 HG23 HD23 ' A' ' 53' ' ' LEU . 90.2 mt -60.98 -33.35 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.981 0.419 . . . . 0.55 110.21 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.456 ' HA ' ' HG2' ' A' ' 55' ' ' MET . . . -70.94 -24.19 62.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.489 0.662 . . . . 0.53 110.356 178.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -90.11 -39.52 12.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.805 -0.634 . . . . 1.4 110.757 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.586 HD13 HG23 ' A' ' 18' ' ' THR . 10.1 mt -57.35 -27.67 62.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.999 -0.546 . . . . 0.48 112.078 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.489 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -66.81 -28.78 68.64 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.029 0.443 . . . . 1.37 110.377 179.038 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -90.77 -35.0 15.11 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 109.341 -0.614 . . . . 3.07 109.341 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 84' ' ' LEU . 5.2 mmtm -65.89 -25.63 67.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.185 -0.916 . . . . 2.78 111.069 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -28.05 68.34 Favored 'General case' 0 N--CA 1.462 0.162 0 O-C-N 123.287 0.367 . . . . 3.01 110.599 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.9 -48.38 3.93 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.919 -0.582 . . . . 3.17 109.923 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.94 98.78 4.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.455 -0.339 . . . . 3.96 110.427 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.681 -0.676 . . . . 6.44 111.527 -179.504 . . . . . . . . 0 0 . 1 stop_ save_