data_2nor_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 2nor _Structure_validation_residue.Date_analyzed 2016-10-08 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 full ' A' A ' 1' ' ' PCA . . . . . 0.447 ' OE ' ' NH1' ' A' ' 5' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 111.433 0.16 . . . . 0.0 111.433 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.439 ' ND2' HD22 ' A' ' 4' ' ' ASN . 7.7 m-20 -89.22 145.89 35.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -18.91 18.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.018 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.439 HD22 ' ND2' ' A' ' 2' ' ' ASN . 19.0 p30 -75.09 -16.5 60.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.447 ' NH1' ' OE ' ' A' ' 1' ' ' PCA . 3.4 mtt180 -80.69 -22.36 40.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -75.03 -24.64 58.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.7 mm -74.99 -25.28 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.96 -27.87 63.67 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -16.2 59.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 111.43 0.159 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.5 132.48 55.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -24.93 12.31 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.798 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -65.35 -15.63 62.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.227 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -80.3 -22.36 41.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.15 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -74.95 -23.92 58.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.9 mm -75.1 -25.82 18.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.04 -27.54 64.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.51 -17.22 58.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.786 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 111.426 0.158 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.27 132.88 51.73 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -4.74 15.85 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -85.11 7.94 19.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.612 1.195 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.75 -22.28 29.72 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -71.58 -24.74 61.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.2 mp -75.05 -25.11 18.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.09 -27.84 63.48 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.601 1.188 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.19 -18.31 60.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 0.4 ' H1 ' ' NE ' ' A' ' 5' ' ' ARG . . . . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 111.441 0.163 . . . . 0.0 111.441 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -76.68 167.23 38.5 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.41 9.92 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.484 1.781 . . . . 0.0 111.026 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -85.02 7.82 20.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.4 ' NE ' ' H1 ' ' A' ' 1' ' ' PCA . 52.7 mtt180 -84.99 -21.3 29.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -75.14 -29.25 60.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.2 mp -64.09 -32.7 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.61 -24.47 70.12 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.472 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 1.6 mt -82.07 -15.5 53.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 0.733 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.3 ttp . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.973 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 0.447 ' O ' ' NH2' ' A' ' 5' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 111.411 0.152 . . . . 0.0 111.411 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -90.04 164.61 27.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 2.33 6.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.516 1.798 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.68 13.45 7.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 1' ' ' PCA . 9.2 mtm180 -64.51 -29.38 70.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -75.11 -23.96 57.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.9 mm -75.1 -25.79 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.596 1.185 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.03 -27.57 64.11 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.81 -17.52 58.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 0.723 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 111.422 0.156 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.416 ' CB ' ' OD1' ' A' ' 4' ' ' ASN . 4.6 m-20 -90.01 167.95 15.82 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -0.04 9.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.481 1.78 . . . . 0.0 110.979 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.416 ' OD1' ' CB ' ' A' ' 2' ' ' ASN . 19.8 p-10 -71.24 -17.54 62.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.26 -21.71 39.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -74.98 -23.87 58.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.6 mt -75.18 -25.95 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.39 -28.48 61.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.525 ' C ' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.64 -28.24 69.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.471 ' N ' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 111.417 0.154 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -89.1 147.92 39.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -1.2 10.92 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -85.14 7.92 20.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.65 -34.18 19.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -56.48 -37.03 69.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.488 ' CD1' ' C ' ' A' ' 7' ' ' ILE . 1.6 pp -76.07 -24.2 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.41 ' N ' HD12 ' A' ' 7' ' ' ILE . . . -75.01 -27.26 64.76 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.456 1.098 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.96 -17.38 57.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.593 0.819 . . . . 0.0 109.363 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 111.417 0.154 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.506 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 1.2 m-20 -75.23 -51.84 3.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.372 -179.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 2' ' ' ASN . 18.4 Cg_endo -75.01 43.51 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.582 1.832 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.407 ' H ' ' C ' ' A' ' 2' ' ' ASN . 14.9 p-10 -65.32 -16.16 63.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -83.4 -22.34 32.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -73.82 -23.86 59.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.8 mt -75.06 -25.86 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.05 -27.58 64.06 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -16.9 59.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 0.784 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 111.404 0.15 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.51 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.5 OUTLIER -75.78 -51.88 2.88 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 -179.227 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 2' ' ' ASN . 18.2 Cg_endo -75.04 43.56 1.01 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.424 ' H ' ' C ' ' A' ' 2' ' ' ASN . 15.8 t-20 -85.05 7.89 19.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -22.15 30.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.35 -23.9 59.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.1 mt -75.0 -25.95 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.02 -27.55 64.18 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.491 1.12 . . . . 0.0 111.013 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.64 -16.98 58.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.76 . . . . 0.0 109.24 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 111.332 0.123 . . . . 0.0 111.332 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.414 ' C ' ' H ' ' A' ' 4' ' ' ASN . 17.0 t-20 -89.93 113.14 55.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 43.58 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.483 1.78 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.414 ' H ' ' C ' ' A' ' 2' ' ' ASN . 10.5 p-10 -65.68 -16.31 63.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -84.03 -22.26 31.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -74.36 -23.93 59.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.5 mt -75.04 -25.91 18.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.04 -27.59 64.06 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.446 1.091 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.421 ' C ' ' CD2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -77.66 -16.33 58.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 111.418 0.155 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.412 ' C ' ' H ' ' A' ' 4' ' ' ASN . 1.2 m-20 -69.97 113.62 18.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 43.52 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.418 1.746 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.412 ' H ' ' C ' ' A' ' 2' ' ' ASN . 2.2 m120 -83.74 -20.4 33.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.6 -22.33 32.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.73 -23.89 59.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.939 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.5 mt -75.04 -25.94 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.97 -27.51 64.36 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.532 1.145 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -16.22 56.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 0.728 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.41 ' C ' ' H ' ' A' ' 4' ' ' ASN . 2.0 m120 -70.06 113.6 18.96 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 43.54 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.535 1.808 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' A' ' 2' ' ' ASN . 0.3 OUTLIER -68.42 -16.81 64.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.59 -22.22 32.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -73.94 -23.91 59.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.6 mt -75.08 -25.93 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.04 -27.53 64.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -19.24 60.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.37 0 CA-C-O 119.763 -0.161 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.417 ' C ' ' H ' ' A' ' 4' ' ' ASN . 2.5 m120 -69.97 113.54 18.38 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 43.52 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.78 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.417 ' H ' ' C ' ' A' ' 2' ' ' ASN . 1.4 m120 -73.89 -15.81 61.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.02 -22.32 39.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.79 -24.49 58.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 mm -75.06 -25.37 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.98 -27.77 63.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -17.29 58.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.361 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.9 ttm . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 111.388 0.144 . . . . 0.0 111.388 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.412 ' C ' ' H ' ' A' ' 4' ' ' ASN . 1.8 m120 -70.03 113.63 19.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 43.53 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.454 1.765 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.412 ' H ' ' C ' ' A' ' 2' ' ' ASN . 0.3 OUTLIER -67.43 -19.0 65.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.4 ptt85 -80.96 -22.02 39.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -74.98 -23.8 58.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.0 mt -75.19 -25.79 18.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.07 -27.57 64.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.562 1.164 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.487 ' C ' ' CD2' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -74.11 -19.35 60.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 109.283 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.418 0 N-CA-C 111.42 0.155 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.51 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -70.41 -51.85 12.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.226 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 2' ' ' ASN . 18.4 Cg_endo -74.96 43.56 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.425 ' H ' ' C ' ' A' ' 2' ' ' ASN . 51.2 p30 -85.03 7.85 19.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -21.6 30.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -73.52 -24.47 60.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.7 mt -74.45 -26.09 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.331 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.06 -27.5 64.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.63 -21.28 61.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.6 tpp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 111.406 0.15 . . . . 0.0 111.406 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.519 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -75.51 -51.78 3.1 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.235 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 2' ' ' ASN . 18.1 Cg_endo -75.0 43.54 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.556 1.819 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.417 ' H ' ' C ' ' A' ' 2' ' ' ASN . 23.0 p-10 -85.06 7.84 20.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -85.08 -21.31 29.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.495 ' CD2' ' HE1' ' A' ' 10' ' ' MET . 0.1 OUTLIER -75.1 -29.25 60.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.0 mm -64.17 -32.7 58.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.63 -24.41 70.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.42 1.075 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.469 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 1.6 mt -81.94 -15.65 53.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.495 ' HE1' ' CD2' ' A' ' 6' ' ' PHE . 2.5 tpp . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 111.057 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.405 ' C ' ' H ' ' A' ' 4' ' ' ASN . 47.4 m-20 -89.94 113.18 56.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 43.58 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.405 ' H ' ' C ' ' A' ' 2' ' ' ASN . 12.7 p-10 -66.97 -15.91 64.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -86.66 -34.08 19.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -56.52 -37.05 69.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.485 ' CD1' ' C ' ' A' ' 7' ' ' ILE . 1.6 pp -76.02 -24.36 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.413 ' N ' HD11 ' A' ' 7' ' ' ILE . . . -75.16 -27.44 64.11 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -18.01 58.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.791 . . . . 0.0 109.254 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 0.491 ' HB2' ' HD2' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 119.759 -0.162 . . . . 0.0 111.415 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.598 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . 1.0 OUTLIER -68.7 -57.32 8.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 -179.255 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.598 ' HD3' ' CB ' ' A' ' 2' ' ' ASN . 18.2 Cg_endo -75.01 43.58 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.756 . . . . 0.0 111.071 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.417 ' H ' ' C ' ' A' ' 2' ' ' ASN . 9.9 p30 -76.97 -17.14 59.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.624 1.203 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.28 -22.18 38.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.47 -23.91 58.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mm -75.16 -25.8 18.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.05 -27.53 64.15 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.556 1.16 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.7 -16.59 58.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.0 mmt . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 111.037 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.437 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.438 ' C ' ' H ' ' A' ' 4' ' ' ASN . 1.7 p30 -69.93 161.98 71.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 40.72 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.542 1.811 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.438 ' H ' ' C ' ' A' ' 2' ' ' ASN . 3.0 t30 -64.23 -19.16 65.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.97 -21.67 33.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.264 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.02 -22.73 58.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.3 mp -75.34 -26.02 18.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.51 -28.27 61.81 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.578 1.174 . . . . 0.0 111.01 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.528 ' C ' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.6 -28.33 69.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.396 0.703 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.476 ' N ' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.4 1.063 . . . . 0.0 111.048 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 119.792 -0.147 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.512 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -70.94 -51.88 10.42 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.208 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 2' ' ' ASN . 18.1 Cg_endo -74.99 43.57 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.477 ' O ' ' CD1' ' A' ' 7' ' ' ILE . 24.5 p-10 -70.8 -19.82 62.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.4 mtt85 -86.87 -22.19 25.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -57.92 -24.05 56.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.543 ' CD1' ' N ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -75.63 -25.53 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.366 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.543 ' N ' ' CD1' ' A' ' 7' ' ' ILE . . . -75.32 -27.92 62.85 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.533 1.145 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.52 -17.22 60.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PCA . . . . . 0.447 ' OE ' ' NH1' ' A' ' 5' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 111.433 0.16 . . . . 0.0 111.433 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.404 ' HA ' HD21 ' A' ' 2' ' ' ASN . 0.7 OUTLIER -89.22 145.89 35.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.167 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -18.91 18.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.018 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -75.09 -16.5 60.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.447 ' NH1' ' OE ' ' A' ' 1' ' ' PCA . 3.4 mtt180 -80.69 -22.36 40.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -75.03 -24.64 58.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.7 mm -74.99 -25.28 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.96 -27.87 63.67 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.578 ' C ' HD23 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -76.99 -16.2 59.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 111.43 0.159 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.5 132.48 55.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -24.93 12.31 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.798 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -15.63 62.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.227 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -80.3 -22.36 41.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.15 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -74.95 -23.92 58.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.9 mm -75.1 -25.82 18.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.04 -27.54 64.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.402 HD23 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -77.51 -17.22 58.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.786 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 111.426 0.158 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.27 132.88 51.73 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -4.74 15.85 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -85.11 7.94 19.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.612 1.195 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.75 -22.28 29.72 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -71.58 -24.74 61.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.2 mp -75.05 -25.11 18.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.09 -27.84 63.48 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.601 1.188 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.41 ' C ' HD23 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -75.19 -18.31 60.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 111.441 0.163 . . . . 0.0 111.441 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -76.68 167.23 38.5 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.41 9.92 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.484 1.781 . . . . 0.0 111.026 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -85.02 7.82 20.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -84.99 -21.3 29.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -75.14 -29.25 60.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.2 mp -64.09 -32.7 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.61 -24.47 70.12 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.715 ' N ' HD23 ' A' ' 9' ' ' LEU . 1.6 mt -82.07 -15.5 53.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 0.733 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.3 ttp . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.973 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PCA . . . . . 0.598 ' C ' HH21 ' A' ' 5' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 111.411 0.152 . . . . 0.0 111.411 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -90.04 164.61 27.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 2.33 6.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.516 1.798 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.68 13.45 7.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.598 HH21 ' C ' ' A' ' 1' ' ' PCA . 9.2 mtm180 -64.51 -29.38 70.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -75.11 -23.96 57.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.9 mm -75.1 -25.79 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.596 1.185 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.03 -27.57 64.11 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.81 -17.52 58.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 0.723 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 111.422 0.156 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.416 ' CB ' ' OD1' ' A' ' 4' ' ' ASN . 4.6 m-20 -90.01 167.95 15.82 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -0.04 9.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.481 1.78 . . . . 0.0 110.979 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.416 ' OD1' ' CB ' ' A' ' 2' ' ' ASN . 19.8 p-10 -71.24 -17.54 62.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.26 -21.71 39.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.436 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.7 m-85 -74.98 -23.87 58.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.6 mt -75.18 -25.95 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.39 -28.48 61.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.95 HD13 ' N ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -64.64 -28.24 69.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.95 ' N ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 111.417 0.154 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -89.1 147.92 39.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -1.2 10.92 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -85.14 7.92 20.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.65 -34.18 19.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -56.48 -37.03 69.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.803 HD12 ' N ' ' A' ' 8' ' ' GLY . 1.6 pp -76.07 -24.2 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.803 ' N ' HD12 ' A' ' 7' ' ' ILE . . . -75.01 -27.26 64.76 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.456 1.098 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.537 ' C ' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -77.96 -17.38 57.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.593 0.819 . . . . 0.0 109.363 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 111.417 0.154 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.506 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 1.2 m-20 -75.23 -51.84 3.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.372 -179.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 2' ' ' ASN . 18.4 Cg_endo -75.01 43.51 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.582 1.832 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.417 ' H ' ' C ' ' A' ' 2' ' ' ASN . 14.9 p-10 -65.32 -16.16 63.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -83.4 -22.34 32.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -73.82 -23.86 59.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.8 mt -75.06 -25.86 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.05 -27.58 64.06 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -16.9 59.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 0.784 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 111.404 0.15 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.51 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.5 OUTLIER -75.78 -51.88 2.88 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 -179.227 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 2' ' ' ASN . 18.2 Cg_endo -75.04 43.56 1.01 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.502 ' HA ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -85.05 7.89 19.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -22.15 30.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.35 -23.9 59.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 4' ' ' ASN . 3.1 mt -75.0 -25.95 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.02 -27.55 64.18 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.491 1.12 . . . . 0.0 111.013 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.641 ' C ' HD23 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -77.64 -16.98 58.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.76 . . . . 0.0 109.24 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 111.332 0.123 . . . . 0.0 111.332 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.423 ' C ' ' H ' ' A' ' 4' ' ' ASN . 17.0 t-20 -89.93 113.14 55.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 43.58 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.483 1.78 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' A' ' 2' ' ' ASN . 10.5 p-10 -65.68 -16.31 63.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -84.03 -22.26 31.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -74.36 -23.93 59.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.5 mt -75.04 -25.91 18.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.04 -27.59 64.06 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.446 1.091 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.663 ' C ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -77.66 -16.33 58.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.438 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 111.418 0.155 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.42 ' C ' ' H ' ' A' ' 4' ' ' ASN . 1.2 m-20 -69.97 113.62 18.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 43.52 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.418 1.746 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.42 ' H ' ' C ' ' A' ' 2' ' ' ASN . 2.2 m120 -83.74 -20.4 33.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.6 -22.33 32.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.73 -23.89 59.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.939 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.5 mt -75.04 -25.94 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.97 -27.51 64.36 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.532 1.145 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -16.22 56.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 0.728 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.417 ' C ' ' H ' ' A' ' 4' ' ' ASN . 2.0 m120 -70.06 113.6 18.96 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 43.54 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.535 1.808 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.623 ' HA ' HD12 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -68.42 -16.81 64.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.59 -22.22 32.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -73.94 -23.91 59.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' A' ' 4' ' ' ASN . 8.6 mt -75.08 -25.93 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.04 -27.53 64.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -19.24 60.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.37 0 CA-C-O 119.763 -0.161 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.422 ' C ' ' H ' ' A' ' 4' ' ' ASN . 2.5 m120 -69.97 113.54 18.38 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 43.52 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.78 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' A' ' 2' ' ' ASN . 1.4 m120 -73.89 -15.81 61.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.02 -22.32 39.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.79 -24.49 58.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 mm -75.06 -25.37 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.98 -27.77 63.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -17.29 58.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.361 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.9 ttm . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 111.388 0.144 . . . . 0.0 111.388 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.421 ' C ' ' H ' ' A' ' 4' ' ' ASN . 1.8 m120 -70.03 113.63 19.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 43.53 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.454 1.765 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.421 ' H ' ' C ' ' A' ' 2' ' ' ASN . 0.3 OUTLIER -67.43 -19.0 65.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.4 ptt85 -80.96 -22.02 39.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -74.98 -23.8 58.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.0 mt -75.19 -25.79 18.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.07 -27.57 64.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.562 1.164 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.756 ' C ' HD23 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -74.11 -19.35 60.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 109.283 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.443 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.418 0 N-CA-C 111.42 0.155 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.51 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -70.41 -51.85 12.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.226 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 2' ' ' ASN . 18.4 Cg_endo -74.96 43.56 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.432 ' H ' ' C ' ' A' ' 2' ' ' ASN . 51.2 p30 -85.03 7.85 19.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -21.6 30.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -73.52 -24.47 60.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.7 mt -74.45 -26.09 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.331 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.06 -27.5 64.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.631 ' C ' HD23 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -71.63 -21.28 61.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.24 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.6 tpp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 111.406 0.15 . . . . 0.0 111.406 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.519 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -75.51 -51.78 3.1 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.235 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 2' ' ' ASN . 18.1 Cg_endo -75.0 43.54 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.556 1.819 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' A' ' 2' ' ' ASN . 23.0 p-10 -85.06 7.84 20.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -85.08 -21.31 29.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.1 -29.25 60.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.0 mm -64.17 -32.7 58.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.63 -24.41 70.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.42 1.075 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.712 ' N ' HD23 ' A' ' 9' ' ' LEU . 1.6 mt -81.94 -15.65 53.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.5 tpp . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 111.057 179.96 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.413 ' C ' ' H ' ' A' ' 4' ' ' ASN . 47.4 m-20 -89.94 113.18 56.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 43.58 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.413 ' H ' ' C ' ' A' ' 2' ' ' ASN . 12.7 p-10 -66.97 -15.91 64.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -86.66 -34.08 19.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -56.52 -37.05 69.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.804 HD12 ' N ' ' A' ' 8' ' ' GLY . 1.6 pp -76.02 -24.36 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.804 ' N ' HD12 ' A' ' 7' ' ' ILE . . . -75.16 -27.44 64.11 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -76.99 -18.01 58.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.791 . . . . 0.0 109.254 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PCA . . . . . 0.511 ' HB2' ' HD2' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 119.759 -0.162 . . . . 0.0 111.415 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.598 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . 1.0 OUTLIER -68.7 -57.32 8.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 -179.255 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.598 ' HD3' ' CB ' ' A' ' 2' ' ' ASN . 18.2 Cg_endo -75.01 43.58 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.756 . . . . 0.0 111.071 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.424 ' H ' ' C ' ' A' ' 2' ' ' ASN . 9.9 p30 -76.97 -17.14 59.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.624 1.203 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.28 -22.18 38.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.47 -23.91 58.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mm -75.16 -25.8 18.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.05 -27.53 64.15 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.556 1.16 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.7 -16.59 58.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.0 mmt . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 111.037 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.437 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.446 ' C ' ' H ' ' A' ' 4' ' ' ASN . 1.7 p30 -69.93 161.98 71.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 40.72 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.542 1.811 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.446 ' H ' ' C ' ' A' ' 2' ' ' ASN . 3.0 t30 -64.23 -19.16 65.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.97 -21.67 33.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.264 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.433 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -75.02 -22.73 58.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.3 mp -75.34 -26.02 18.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.51 -28.27 61.81 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.578 1.174 . . . . 0.0 111.01 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.952 HD13 ' N ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -64.6 -28.33 69.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.396 0.703 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.952 ' N ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.4 1.063 . . . . 0.0 111.048 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 119.792 -0.147 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.512 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -70.94 -51.88 10.42 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.208 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 2' ' ' ASN . 18.1 Cg_endo -74.99 43.57 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.969 ' O ' HD12 ' A' ' 7' ' ' ILE . 24.5 p-10 -70.8 -19.82 62.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.4 mtt85 -86.87 -22.19 25.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -57.92 -24.05 56.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.002 HD13 ' N ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -75.63 -25.53 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.366 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 1.002 ' N ' HD13 ' A' ' 7' ' ' ILE . . . -75.32 -27.92 62.85 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.533 1.145 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.52 -17.22 60.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . 0.447 ' OE ' ' NH1' ' A' ' 5' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 111.433 0.16 . . . . 0.0 111.433 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.459 ' ND2' HD21 ' A' ' 4' ' ' ASN . 7.7 m-20 -89.22 145.89 35.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -18.91 18.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.018 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.459 HD21 ' ND2' ' A' ' 2' ' ' ASN . 19.0 p30 -75.09 -16.5 60.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.447 ' NH1' ' OE ' ' A' ' 1' ' ' PCA . 3.4 mtt180 -80.69 -22.36 40.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -75.03 -24.64 58.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.7 mm -74.99 -25.28 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.96 -27.87 63.67 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.578 ' C ' HD23 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -76.99 -16.2 59.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 111.43 0.159 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.5 132.48 55.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -24.93 12.31 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.798 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -65.35 -15.63 62.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.227 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -80.3 -22.36 41.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.15 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -74.95 -23.92 58.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.9 mm -75.1 -25.82 18.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.04 -27.54 64.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.402 HD23 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -77.51 -17.22 58.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.786 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 111.426 0.158 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.27 132.88 51.73 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -4.74 15.85 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -85.11 7.94 19.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.612 1.195 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.75 -22.28 29.72 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -71.58 -24.74 61.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.2 mp -75.05 -25.11 18.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.09 -27.84 63.48 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.601 1.188 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.41 ' C ' HD23 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -75.19 -18.31 60.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 111.441 0.163 . . . . 0.0 111.441 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -76.68 167.23 38.5 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.41 9.92 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.484 1.781 . . . . 0.0 111.026 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -85.02 7.82 20.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -84.99 -21.3 29.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -75.14 -29.25 60.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.2 mp -64.09 -32.7 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.61 -24.47 70.12 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.715 ' N ' HD23 ' A' ' 9' ' ' LEU . 1.6 mt -82.07 -15.5 53.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 0.733 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.3 ttp . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.973 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . 0.598 ' C ' HH21 ' A' ' 5' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 111.411 0.152 . . . . 0.0 111.411 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -90.04 164.61 27.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 2.33 6.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.516 1.798 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.68 13.45 7.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.598 HH21 ' C ' ' A' ' 1' ' ' PCA . 9.2 mtm180 -64.51 -29.38 70.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -75.11 -23.96 57.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.9 mm -75.1 -25.79 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.596 1.185 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.03 -27.57 64.11 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.81 -17.52 58.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 0.723 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 111.422 0.156 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.416 ' CB ' ' OD1' ' A' ' 4' ' ' ASN . 4.6 m-20 -90.01 167.95 15.82 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -0.04 9.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.481 1.78 . . . . 0.0 110.979 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.416 ' OD1' ' CB ' ' A' ' 2' ' ' ASN . 19.8 p-10 -71.24 -17.54 62.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.26 -21.71 39.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.436 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.7 m-85 -74.98 -23.87 58.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.6 mt -75.18 -25.95 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.39 -28.48 61.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.95 HD13 ' N ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -64.64 -28.24 69.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.95 ' N ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 111.417 0.154 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -89.1 147.92 39.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -1.2 10.92 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -85.14 7.92 20.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.65 -34.18 19.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -56.48 -37.03 69.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.803 HD12 ' N ' ' A' ' 8' ' ' GLY . 1.6 pp -76.07 -24.2 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.803 ' N ' HD12 ' A' ' 7' ' ' ILE . . . -75.01 -27.26 64.76 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.456 1.098 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.537 ' C ' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -77.96 -17.38 57.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.593 0.819 . . . . 0.0 109.363 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 111.417 0.154 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.506 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 1.2 m-20 -75.23 -51.84 3.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.372 -179.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 2' ' ' ASN . 18.4 Cg_endo -75.01 43.51 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.582 1.832 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.417 ' H ' ' C ' ' A' ' 2' ' ' ASN . 14.9 p-10 -65.32 -16.16 63.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -83.4 -22.34 32.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -73.82 -23.86 59.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.8 mt -75.06 -25.86 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.05 -27.58 64.06 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -16.9 59.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 0.784 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 111.404 0.15 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.51 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.5 OUTLIER -75.78 -51.88 2.88 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 -179.227 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 2' ' ' ASN . 18.2 Cg_endo -75.04 43.56 1.01 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.502 ' HA ' HD12 ' A' ' 7' ' ' ILE . 15.8 t-20 -85.05 7.89 19.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -22.15 30.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.35 -23.9 59.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 4' ' ' ASN . 3.1 mt -75.0 -25.95 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.02 -27.55 64.18 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.491 1.12 . . . . 0.0 111.013 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.641 ' C ' HD23 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -77.64 -16.98 58.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.76 . . . . 0.0 109.24 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 111.332 0.123 . . . . 0.0 111.332 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.423 ' C ' ' H ' ' A' ' 4' ' ' ASN . 17.0 t-20 -89.93 113.14 55.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 43.58 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.483 1.78 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' A' ' 2' ' ' ASN . 10.5 p-10 -65.68 -16.31 63.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -84.03 -22.26 31.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -74.36 -23.93 59.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.5 mt -75.04 -25.91 18.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.04 -27.59 64.06 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.446 1.091 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.663 ' C ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -77.66 -16.33 58.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.438 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 111.418 0.155 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.42 ' C ' ' H ' ' A' ' 4' ' ' ASN . 1.2 m-20 -69.97 113.62 18.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 43.52 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.418 1.746 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.42 ' H ' ' C ' ' A' ' 2' ' ' ASN . 2.2 m120 -83.74 -20.4 33.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.6 -22.33 32.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.73 -23.89 59.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.939 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.5 mt -75.04 -25.94 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.97 -27.51 64.36 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.532 1.145 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -16.22 56.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 0.728 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.417 ' C ' ' H ' ' A' ' 4' ' ' ASN . 2.0 m120 -70.06 113.6 18.96 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 43.54 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.535 1.808 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.623 ' HA ' HD12 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -68.42 -16.81 64.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.59 -22.22 32.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -73.94 -23.91 59.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' A' ' 4' ' ' ASN . 8.6 mt -75.08 -25.93 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.04 -27.53 64.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -19.24 60.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.37 0 CA-C-O 119.763 -0.161 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.422 ' C ' ' H ' ' A' ' 4' ' ' ASN . 2.5 m120 -69.97 113.54 18.38 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 43.52 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.78 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' A' ' 2' ' ' ASN . 1.4 m120 -73.89 -15.81 61.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.02 -22.32 39.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.79 -24.49 58.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 mm -75.06 -25.37 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.98 -27.77 63.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -17.29 58.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.361 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.9 ttm . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 111.388 0.144 . . . . 0.0 111.388 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.421 ' C ' ' H ' ' A' ' 4' ' ' ASN . 1.8 m120 -70.03 113.63 19.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 43.53 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.454 1.765 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.421 ' H ' ' C ' ' A' ' 2' ' ' ASN . 0.3 OUTLIER -67.43 -19.0 65.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.4 ptt85 -80.96 -22.02 39.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -74.98 -23.8 58.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.0 mt -75.19 -25.79 18.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.07 -27.57 64.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.562 1.164 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.756 ' C ' HD23 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -74.11 -19.35 60.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 109.283 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.443 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.418 0 N-CA-C 111.42 0.155 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.51 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -70.41 -51.85 12.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.226 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 2' ' ' ASN . 18.4 Cg_endo -74.96 43.56 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.432 ' H ' ' C ' ' A' ' 2' ' ' ASN . 51.2 p30 -85.03 7.85 19.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -21.6 30.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -73.52 -24.47 60.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.7 mt -74.45 -26.09 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.331 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.06 -27.5 64.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.631 ' C ' HD23 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -71.63 -21.28 61.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.24 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.6 tpp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 111.406 0.15 . . . . 0.0 111.406 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.519 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -75.51 -51.78 3.1 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.235 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 2' ' ' ASN . 18.1 Cg_endo -75.0 43.54 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.556 1.819 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' A' ' 2' ' ' ASN . 23.0 p-10 -85.06 7.84 20.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -85.08 -21.31 29.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.1 -29.25 60.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.0 mm -64.17 -32.7 58.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.63 -24.41 70.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.42 1.075 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.712 ' N ' HD23 ' A' ' 9' ' ' LEU . 1.6 mt -81.94 -15.65 53.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.5 tpp . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 111.057 179.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.413 ' C ' ' H ' ' A' ' 4' ' ' ASN . 47.4 m-20 -89.94 113.18 56.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 43.58 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.413 ' H ' ' C ' ' A' ' 2' ' ' ASN . 12.7 p-10 -66.97 -15.91 64.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -86.66 -34.08 19.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -56.52 -37.05 69.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.804 HD12 ' N ' ' A' ' 8' ' ' GLY . 1.6 pp -76.02 -24.36 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.804 ' N ' HD12 ' A' ' 7' ' ' ILE . . . -75.16 -27.44 64.11 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -76.99 -18.01 58.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.791 . . . . 0.0 109.254 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . 0.511 ' HB2' ' HD2' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 119.759 -0.162 . . . . 0.0 111.415 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.598 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . 1.0 OUTLIER -68.7 -57.32 8.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 -179.255 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.598 ' HD3' ' CB ' ' A' ' 2' ' ' ASN . 18.2 Cg_endo -75.01 43.58 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.756 . . . . 0.0 111.071 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.424 ' H ' ' C ' ' A' ' 2' ' ' ASN . 9.9 p30 -76.97 -17.14 59.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.624 1.203 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.28 -22.18 38.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.47 -23.91 58.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mm -75.16 -25.8 18.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.05 -27.53 64.15 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.556 1.16 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.7 -16.59 58.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.0 mmt . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 111.037 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.437 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.446 ' C ' ' H ' ' A' ' 4' ' ' ASN . 1.7 p30 -69.93 161.98 71.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 40.72 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.542 1.811 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.446 ' H ' ' C ' ' A' ' 2' ' ' ASN . 3.0 t30 -64.23 -19.16 65.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.97 -21.67 33.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.264 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.433 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -75.02 -22.73 58.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.3 mp -75.34 -26.02 18.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.51 -28.27 61.81 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.578 1.174 . . . . 0.0 111.01 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.952 HD13 ' N ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -64.6 -28.33 69.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.396 0.703 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.952 ' N ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.4 1.063 . . . . 0.0 111.048 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 119.792 -0.147 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.512 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -70.94 -51.88 10.42 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.208 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 2' ' ' ASN . 18.1 Cg_endo -74.99 43.57 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.969 ' O ' HD12 ' A' ' 7' ' ' ILE . 24.5 p-10 -70.8 -19.82 62.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.4 mtt85 -86.87 -22.19 25.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -57.92 -24.05 56.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.002 HD13 ' N ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -75.63 -25.53 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.366 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 1.002 ' N ' HD13 ' A' ' 7' ' ' ILE . . . -75.32 -27.92 62.85 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.533 1.145 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.52 -17.22 60.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 stop_ save_