data_2b3i_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 2b3i _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.526 ' CG2' ' CD2' ' A' ' 21' ' ' LEU . 15.0 m -120.6 174.66 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -143.53 146.1 33.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.498 ' HB ' ' CD2' ' A' ' 31' ' ' PHE . 7.6 mm -106.37 108.79 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.429 ' HG2' ' CG1' ' A' ' 32' ' ' VAL . 37.0 mttt -88.65 129.26 35.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -100.68 103.85 15.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.16 144.11 10.07 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.449 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 1.2 p -108.05 164.52 12.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 0.721 . . . . 0.0 110.388 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -63.66 -12.81 36.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HE2' ' CB ' ' A' ' 9' ' ' THR . 14.4 pttt -90.78 37.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 38.98 29.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.447 ' CB ' ' HG3' ' A' ' 11' ' ' LYS . . . -105.35 117.48 58.18 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.405 ' HG3' ' CG1' ' A' ' 36' ' ' VAL . 18.4 Cg_endo -74.94 96.52 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.526 1.803 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.446 ' HA ' ' CG ' ' A' ' 90' ' ' MET . 3.0 pp -150.2 156.97 42.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.421 ' N ' ' HG3' ' A' ' 90' ' ' MET . 4.1 m-85 -81.0 130.54 35.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.492 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 25.5 tt0 -139.58 134.01 16.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.01 139.3 60.94 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.032 -2.487 . . . . 0.0 111.023 0.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' PRO . 2.0 tttt -39.59 -39.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.42 145.18 50.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.526 ' CD2' ' CG2' ' A' ' 3' ' ' VAL . 12.1 tp -142.15 142.06 32.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -128.93 143.83 51.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.968 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 95' ' ' THR . 18.8 pt -150.13 -175.48 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.965 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 8.1 m -106.67 170.18 8.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.163 . . . . 0.0 110.087 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.466 ' HA ' ' CG1' ' A' ' 96' ' ' VAL . . . -72.65 101.48 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.47 -3.29 9.51 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -76.97 176.46 8.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 109.329 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.1 m -122.67 154.64 37.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.444 HG11 ' CE1' ' A' ' 31' ' ' PHE . 73.2 t -132.47 103.15 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 5' ' ' ILE . 7.8 tt0 -80.02 170.2 16.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.586 1.179 . . . . 0.0 110.317 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.498 ' CD2' ' HB ' ' A' ' 5' ' ' ILE . 57.4 m-85 -148.97 118.07 6.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 66' ' ' SER . 3.1 p -125.18 149.43 29.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.512 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 24.8 mtp -92.72 112.67 24.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.424 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.3 m120 -71.47 -67.54 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.74 -175.04 2.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.457 ' O ' ' NE2' ' A' ' 39' ' ' HIS . 3.8 t 55.18 67.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.414 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -100.69 -172.47 29.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.563 1.164 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 178.5 34.41 Favored 'Cis proline' 0 C--N 1.361 1.211 0 C-N-CA 120.944 -2.523 . . . . 0.0 111.039 -0.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.512 ' CD2' ' HG2' ' A' ' 33' ' ' MET . 93.6 m-70 -133.5 -171.22 2.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.594 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.413 ' ND2' HD11 ' A' ' 42' ' ' ILE . 7.4 p-10 -175.41 -173.2 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' ASN . 93.5 t -138.31 89.69 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.521 HG21 ' CZ ' ' A' ' 81' ' ' TYR . 67.3 mt -122.22 100.87 9.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.44 ' N ' ' OG ' ' A' ' 56' ' ' SER . 98.1 m-85 -61.76 160.46 11.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.45 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 4.6 t70 -90.56 -50.56 5.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 4.2 mtmt 167.24 146.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.597 1.186 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.569 HG13 ' CD2' ' A' ' 78' ' ' TYR . 9.3 m -128.69 158.37 72.34 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.111 0 O-C-N 124.509 1.794 . . . . 0.0 111.014 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.523 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -54.38 -51.26 79.59 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.09 51.03 2.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -159.09 -48.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.2 mt -67.92 -21.08 65.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' A' ' 43' ' ' PHE . 3.0 m -50.7 167.17 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.975 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' VAL . 5.2 t-20 -160.57 108.1 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.1 t -89.54 21.3 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.453 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -85.75 55.67 3.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 pp -40.45 127.5 2.38 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.472 ' HB2' ' CE1' ' A' ' 67' ' ' PHE . . . -114.35 117.21 30.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.2 tp -68.33 -43.95 84.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.54 120.17 12.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 131.15 14.08 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.85 -167.32 40.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.463 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -90.26 97.28 11.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 0.73 . . . . 0.0 110.011 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.472 ' CE1' ' HB2' ' A' ' 61' ' ' ALA . 2.1 m-85 -37.51 -76.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -178.11 174.32 1.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.8 159.79 23.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.976 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 m -152.21 136.97 10.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 72' ' ' LEU . 1.9 m -95.88 147.2 23.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.41 ' N ' HG22 ' A' ' 71' ' ' THR . 1.0 OUTLIER -125.96 172.45 9.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.58 -44.77 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.516 1.135 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -55.77 123.93 54.67 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.449 0.735 . . . . 0.0 110.405 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 143.83 29.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.26 -178.93 20.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.108 . . . . 0.0 111.058 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -103.81 125.26 50.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 110.392 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.569 ' CD2' HG13 ' A' ' 46' ' ' VAL . 7.1 m-85 -106.94 138.91 42.22 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.6 t -116.72 165.32 13.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.567 ' CE1' ' HA3' ' A' ' 92' ' ' GLY . 14.5 p90 -163.74 -178.05 5.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.521 ' CZ ' HG21 ' A' ' 42' ' ' ILE . 11.4 p90 -167.94 162.37 13.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 111.052 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.24 147.73 24.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.346 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.491 ' OG1' ' CD1' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -76.09 -54.95 1.92 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.446 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.02 -31.24 6.34 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.412 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 21.1 m80 -107.45 67.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.607 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -101.16 -27.48 13.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -99.32 -22.38 13.01 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.24 -10.9 55.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 80.24 54.83 3.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.446 ' CG ' ' HA ' ' A' ' 15' ' ' LEU . 9.0 ttt -115.95 77.87 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 0.73 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.56 150.54 32.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 80' ' ' PHE . . . -142.15 -173.31 14.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.432 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 1.3 m -152.89 159.55 43.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.577 0.81 . . . . 0.0 110.424 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.566 HD11 ' CE2' ' A' ' 80' ' ' PHE . 5.8 mt -136.96 151.23 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' ILE . 2.7 m -130.43 138.4 50.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 25' ' ' ALA . 53.8 t -124.79 85.94 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.965 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.462 HG21 ' CD1' ' A' ' 21' ' ' LEU . 3.0 m -126.79 177.35 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.29 148.23 36.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' GLU . 8.4 mm -113.34 110.99 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.482 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 23.2 mttt -91.21 128.92 37.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.493 ' HE3' ' CD2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -101.55 98.61 8.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.05 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.64 150.41 9.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 p -115.06 155.9 26.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 110.363 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -60.17 -15.6 25.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.41 40.07 1.0 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.216 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 40.24 28.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -103.83 113.25 65.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.429 ' CA ' HG12 ' A' ' 36' ' ' VAL . 18.3 Cg_endo -75.07 89.38 1.17 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' HA ' ' CG ' ' A' ' 90' ' ' MET . 1.8 tt -140.58 170.77 15.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.589 1.18 . . . . 0.0 109.354 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -93.82 127.35 39.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.476 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 16.6 tt0 -131.42 130.64 22.58 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.476 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -74.98 151.84 97.44 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.959 -2.517 . . . . 0.0 110.982 -0.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -49.52 -39.86 35.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.76 152.1 44.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.462 ' CD1' HG21 ' A' ' 3' ' ' VAL . 11.1 tp -144.96 142.8 30.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.474 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 9.9 t -129.57 143.09 50.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.474 ' CG2' ' O ' ' A' ' 22' ' ' SER . 12.9 pt -155.12 -175.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.426 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 5.0 p -120.9 169.34 10.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.472 1.107 . . . . 0.0 110.031 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.62 105.61 1.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.9 -7.26 8.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -81.23 173.84 12.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.356 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 m -127.11 154.09 45.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 110.416 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.532 HG13 ' CE1' ' A' ' 31' ' ' PHE . 97.6 t -131.56 102.57 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 5' ' ' ILE . 12.2 tt0 -77.3 170.37 16.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.254 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.532 ' CE1' HG13 ' A' ' 29' ' ' VAL . 39.8 m-85 -147.24 118.25 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.482 ' CG1' ' CG ' ' A' ' 6' ' ' LYS . 9.9 p -122.09 152.22 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.573 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 2.7 ttp -94.85 119.26 33.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.38 -65.78 0.91 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.491 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -171.19 -167.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.233 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.504 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 8.9 p 46.16 55.91 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.598 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -90.94 -171.81 43.51 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HG3' ' CD1' ' A' ' 62' ' ' ILE . 18.2 Cg_endo -75.03 -169.02 6.98 Favored 'Cis proline' 0 C--N 1.361 1.206 0 C-N-CA 120.925 -2.531 . . . . 0.0 111.0 -0.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.598 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 81.2 m-70 -145.52 -170.6 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.547 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 1.6 p30 171.84 167.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 41.1 t -108.17 111.33 35.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.5 mm -129.18 69.52 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.401 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 65.8 m-85 -37.95 157.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.1 t70 -92.76 -49.07 6.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 1.8 mttt 167.51 149.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.634 ' CG1' ' CD2' ' A' ' 78' ' ' TYR . 30.0 m -131.14 159.1 73.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 110.971 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.536 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -54.67 -50.41 85.82 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.2 Cg_endo -75.01 51.02 2.68 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -159.43 -45.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.24 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.6 mt -70.22 -28.25 65.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.47 94.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -83.88 116.54 22.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 t -90.28 35.65 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -99.76 74.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.64 103.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -81.07 108.01 14.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.373 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 26.0 mm -72.24 -49.12 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.34 114.04 27.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.43 21.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.43 55.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.6 m 55.21 89.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.968 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 2.0 m-85 -37.49 -83.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.438 1.087 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -171.1 174.77 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.17 159.02 26.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.023 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.5 m -148.52 136.23 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.3 m -96.52 121.16 38.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.419 ' N ' ' CD2' ' A' ' 72' ' ' LEU . 1.9 mm? -91.87 173.21 7.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -151.48 -63.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 111.056 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.0 m -45.39 130.5 6.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.434 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 144.52 30.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.78 -178.59 19.62 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.2 m -106.5 118.47 36.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.371 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.634 ' CD2' ' CG1' ' A' ' 46' ' ' VAL . 7.1 m-85 -93.4 139.67 30.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.386 1.054 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p -121.17 146.54 46.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.473 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 8.5 p90 -147.79 -173.57 4.32 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.46 ' CB ' HG11 ' A' ' 91' ' ' VAL . 15.8 p90 -172.15 166.15 6.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.89 123.85 37.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 108.341 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.506 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -53.27 -51.32 76.47 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.4 Cg_endo -74.9 -59.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.484 1.781 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.504 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 29.4 m80 -77.51 56.16 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.388 1.055 . . . . 0.0 109.574 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -90.28 -36.0 14.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.598 1.186 . . . . 0.0 110.335 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.34 -29.62 16.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.01 -13.94 60.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 0.733 . . . . 0.0 109.318 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 81.93 83.02 0.83 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 7' ' ' MET . 9.9 ttt -141.51 77.15 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 111.061 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.46 HG11 ' CB ' ' A' ' 81' ' ' TYR . 4.6 m -130.14 147.4 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.473 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -138.31 -171.64 12.25 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.546 1.154 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.4 m -147.0 160.21 42.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 110.411 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.469 ' CD1' HG12 ' A' ' 29' ' ' VAL . 94.9 mt -144.56 125.55 8.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.391 1.057 . . . . 0.0 109.266 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ILE . 64.0 m -106.89 143.84 34.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.375 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 3.8 t -127.73 75.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.241 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ILE . 1.9 mt-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.612 1.195 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.469 HG23 ' CD1' ' A' ' 21' ' ' LEU . 16.1 m -116.05 171.09 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.427 ' CB ' ' HB3' ' A' ' 30' ' ' GLU . 6.3 pt20 -136.69 164.53 28.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' GLU . 8.2 mm -123.81 117.81 52.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.585 1.178 . . . . 0.0 109.284 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.474 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 3.2 mtmt -99.16 133.83 42.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.422 ' HG2' ' CE ' ' A' ' 90' ' ' MET . 7.6 mtm -105.07 99.95 9.56 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.5 145.63 9.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.46 HG23 ' CD1' ' A' ' 15' ' ' LEU . 2.3 p -108.69 160.74 15.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 0.775 . . . . 0.0 110.35 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -60.15 -15.72 26.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' ALA . 6.3 ttmt -90.74 39.79 1.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.179 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 38.11 29.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.448 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . . . -104.29 116.98 60.41 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.469 ' CA ' HG12 ' A' ' 36' ' ' VAL . 18.3 Cg_endo -75.01 95.06 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.418 1.746 . . . . 0.0 111.053 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.46 ' CD1' HG23 ' A' ' 9' ' ' THR . 1.8 pp -149.22 152.27 35.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.414 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 2.5 m-85 -78.09 128.28 33.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 14.4 tt0 -132.15 134.25 24.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.02 142.06 73.62 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.95 0.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -39.94 7.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.71 141.33 48.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.469 ' CD1' HG23 ' A' ' 3' ' ' VAL . 13.9 tp -142.99 139.22 30.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.366 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.2 t -130.2 143.06 50.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 97' ' ' GLU . 20.2 pt -151.87 -175.15 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.604 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 47.2 t -117.51 -176.38 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.02 102.66 10.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.32 -5.72 8.75 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -77.85 174.02 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 m -121.88 160.14 25.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.408 HG12 ' CD2' ' A' ' 21' ' ' LEU . 89.9 t -136.68 104.31 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -79.41 167.99 20.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.108 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -148.8 125.0 10.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.474 ' CG1' ' CG ' ' A' ' 6' ' ' LYS . 4.8 p -135.46 151.91 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.556 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 21.9 mtp -97.04 118.39 33.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.455 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.1 m120 -75.82 -66.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -169.03 -166.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 35' ' ' LYS . 11.4 p 46.68 52.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.595 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -88.75 -170.15 45.23 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.452 1.095 . . . . 0.0 111.047 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.55 9.55 Favored 'Cis proline' 0 C--N 1.359 1.106 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.029 -0.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.595 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 84.7 m-70 -145.33 -169.71 3.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.544 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.554 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 2.7 p30 169.61 169.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.4 t -110.03 113.82 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.231 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.7 mm -134.4 70.52 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.447 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 82.0 m-85 -39.1 159.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 2.3 t70 -93.09 -49.96 5.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 5.8 mttt 167.58 149.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.569 HG13 ' CD2' ' A' ' 78' ' ' TYR . 27.8 m -130.17 159.01 72.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.116 0 O-C-N 124.591 1.837 . . . . 0.0 110.979 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.527 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -50.19 -50.9 67.28 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.417 1.073 . . . . 0.0 109.274 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -75.1 51.2 2.76 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.41 -45.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.078 . . . . 0.0 109.349 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.0 mt -67.87 -33.08 74.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.19 112.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -108.47 129.49 55.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.5 t -91.08 30.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -86.56 54.52 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.525 ' CD1' ' CD1' ' A' ' 62' ' ' ILE . 1.8 pp -41.52 119.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . . . -89.69 109.71 20.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.525 ' CD1' ' CD1' ' A' ' 60' ' ' LEU . 25.8 mm -71.89 -50.51 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.68 147.08 94.32 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.252 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.54 21.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.46 -172.66 41.78 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.473 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 57.5 p -94.16 104.73 16.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 0.749 . . . . 0.0 110.06 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 40' ' ' ASN . 1.8 m-85 -37.14 -73.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.3 p90 173.42 173.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 111.041 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.95 156.2 22.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 110.041 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 m -151.67 138.01 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.541 1.15 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.3 m -90.56 155.05 19.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.6 mt -132.8 163.27 29.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.02 -49.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.67 121.12 11.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.395 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.97 27.25 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.477 1.777 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.09 -179.22 19.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.2 t -99.94 123.25 43.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 0.746 . . . . 0.0 110.392 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.569 ' CD2' HG13 ' A' ' 46' ' ' VAL . 7.9 m-85 -100.17 134.38 43.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 m -120.39 140.02 51.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.493 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 3.1 p90 -141.34 -171.07 3.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -172.24 168.55 5.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.96 114.13 25.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 108.306 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.509 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -43.47 -51.18 15.73 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.92 -61.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.452 1.764 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -77.77 71.12 4.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.612 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -99.7 -39.62 8.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.67 -21.82 38.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.13 -9.91 50.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.434 0.726 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.65 65.75 1.94 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.474 1.109 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.422 ' CE ' ' HG2' ' A' ' 7' ' ' MET . 8.4 ttt -127.24 77.26 1.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 0.733 . . . . 0.0 111.046 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.8 m -128.44 156.31 40.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.148 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.412 ' C ' ' CE1' ' A' ' 80' ' ' PHE . . . -146.52 -168.63 13.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.441 1.088 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -146.82 161.5 40.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 0.733 . . . . 0.0 110.387 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 58.6 mt -150.41 115.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.546 1.154 . . . . 0.0 109.38 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' ILE . 97.5 m -102.92 147.51 26.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.407 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 6.0 t -127.63 72.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.604 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.469 ' CG1' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -115.86 174.02 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -144.0 153.61 42.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.531 HG23 ' CE2' ' A' ' 31' ' ' PHE . 5.6 mm -119.04 113.92 43.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.497 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 27.5 mttt -94.61 130.09 41.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.46 ' CE ' ' HB3' ' A' ' 31' ' ' PHE . 6.5 mtm -100.22 101.52 12.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.15 146.13 8.86 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.7 p -109.95 159.04 17.61 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 0.73 . . . . 0.0 110.421 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -58.49 -16.99 17.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.18 40.65 1.01 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 38.35 29.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.056 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -101.71 115.47 64.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.485 ' HB2' ' CD2' ' A' ' 85' ' ' HIS . 18.4 Cg_endo -75.03 85.8 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.551 1.816 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 89' ' ' GLY . 0.8 OUTLIER -137.49 171.07 15.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.411 1.069 . . . . 0.0 109.281 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.42 ' N ' ' HG3' ' A' ' 90' ' ' MET . 1.3 m-85 -94.66 128.86 41.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.466 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 24.6 tt0 -136.18 127.56 17.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.223 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.92 158.36 99.02 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.027 -0.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -61.92 -39.59 92.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.71 145.65 48.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.469 HD12 ' CG1' ' A' ' 3' ' ' VAL . 11.5 tp -141.74 140.85 33.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.421 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 9.8 t -129.39 143.13 50.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.465 HG23 ' CG2' ' A' ' 3' ' ' VAL . 15.2 pt -153.16 -175.15 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.973 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 16.0 m -119.92 161.56 20.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 109.968 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.61 106.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.367 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.0 -8.24 8.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.425 ' CB ' ' HB ' ' A' ' 23' ' ' ILE . 6.6 m-20 -80.12 175.22 10.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.9 m -128.72 157.65 40.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.476 HG13 ' CE1' ' A' ' 31' ' ' PHE . 61.9 t -136.45 109.6 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 5' ' ' ILE . 3.0 tm-20 -86.76 169.9 12.21 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 1.11 . . . . 0.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.531 ' CE2' HG23 ' A' ' 5' ' ' ILE . 38.2 m-85 -147.57 120.77 8.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.497 ' CG1' ' CG ' ' A' ' 6' ' ' LYS . 10.0 p -124.28 156.11 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.429 ' CG ' ' CD2' ' A' ' 39' ' ' HIS . 1.9 ttp -96.4 124.5 40.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.491 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.3 m120 -86.27 -62.0 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' N ' ' HE2' ' A' ' 33' ' ' MET . 0.0 OUTLIER -169.16 -171.58 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.593 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 2.6 t 47.19 61.38 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.58 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -99.4 -173.25 31.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.593 1.183 . . . . 0.0 111.032 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -169.19 7.13 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.018 -0.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.58 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 75.8 m-70 -143.99 -169.93 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.63 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.9 OUTLIER 179.37 163.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 26.5 t -108.84 84.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.481 HG23 ' CE1' ' A' ' 81' ' ' TYR . 22.8 mt -108.8 91.24 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -56.67 163.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 7.0 t0 -93.63 -50.11 5.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 1.1 mttt 167.83 147.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.536 HG13 ' CD2' ' A' ' 78' ' ' TYR . 15.0 m -128.31 158.26 71.94 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.425 1.75 . . . . 0.0 110.974 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.494 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -55.28 -52.79 68.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.92 51.02 2.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.55 1.816 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -157.9 -45.57 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.596 1.185 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.29 -31.05 69.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 m -44.09 129.36 6.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -127.8 86.07 2.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 60' ' ' LEU . 9.7 t -57.8 -16.43 11.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 95.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.2 OUTLIER -67.53 96.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.548 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . . . -83.5 102.61 12.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 64' ' ' PRO . 10.0 tp -72.87 -51.94 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -39.66 100.05 0.21 Allowed Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.08 131.68 14.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.2 -57.75 0.13 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.594 1.184 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' PHE . 17.8 p 173.36 91.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 61' ' ' ALA . 1.9 m-85 -37.63 -83.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -177.16 178.64 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.458 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 11.4 t -125.74 -179.47 4.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.458 ' CG1' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -168.83 141.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.2 m -100.32 145.23 28.39 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 110.37 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.6 mt -120.16 173.05 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.85 -44.54 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.125 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.3 m -61.02 129.99 90.89 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 0.0 110.443 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.35 31.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.553 1.817 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.14 -179.89 20.33 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.8 t -107.89 122.3 46.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.79 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.536 ' CD2' HG13 ' A' ' 46' ' ' VAL . 30.2 m-85 -97.84 132.5 43.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -114.98 143.55 44.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.566 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 13.2 p90 -144.03 -176.28 4.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.386 1.054 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.481 ' CE1' HG23 ' A' ' 42' ' ' ILE . 14.9 p90 -172.91 152.75 2.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -83.99 140.88 31.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 108.324 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.594 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 1.2 m -77.9 -45.8 2.34 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.377 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -74.98 -38.45 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.593 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 31.5 m80 -105.67 45.25 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.632 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -79.08 -36.6 40.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.25 -24.03 25.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.18 -11.23 58.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.489 ' O ' ' CD1' ' A' ' 15' ' ' LEU . . . 82.53 71.25 1.31 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.423 ' CG ' ' HA ' ' A' ' 15' ' ' LEU . 14.4 ttt -134.76 84.6 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.753 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.01 156.04 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.566 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -147.14 -171.51 16.4 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.445 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -152.28 156.73 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 0.717 . . . . 0.0 110.351 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 14.6 mt -138.8 134.88 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' ILE . 5.7 m -116.19 140.27 49.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 4.2 t -124.8 74.83 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.973 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.9 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.462 HG21 ' CD1' ' A' ' 21' ' ' LEU . 35.5 m -111.81 167.24 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -131.78 147.28 52.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.57 ' HB ' ' CD1' ' A' ' 31' ' ' PHE . 14.3 mm -115.31 107.53 23.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.516 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 10.2 mttp -84.97 137.58 33.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 3.8 mpp? -99.98 110.31 22.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 101.35 162.39 27.31 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.406 ' OG1' ' CB ' ' A' ' 13' ' ' ALA . 2.8 p -124.69 156.67 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.424 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -61.14 -15.04 29.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.22 41.37 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 38.88 30.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.45 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . . . -102.24 107.59 53.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.406 ' C ' ' SD ' ' A' ' 90' ' ' MET . 18.5 Cg_endo -75.06 78.08 3.0 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.465 ' HA ' ' CG ' ' A' ' 90' ' ' MET . 2.2 pp -141.25 160.91 39.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.425 ' N ' ' HG3' ' A' ' 90' ' ' MET . 5.7 m-85 -77.09 139.85 40.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 22.6 tt0 -142.98 134.15 12.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.234 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.03 141.5 71.91 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 121.011 -2.496 . . . . 0.0 110.931 -0.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' PRO . 1.1 mttt -39.0 -36.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.34 150.41 49.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.462 ' CD1' HG21 ' A' ' 3' ' ' VAL . 12.7 tp -147.47 145.3 29.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.475 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 7.9 t -130.55 144.87 51.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.475 ' CG2' ' O ' ' A' ' 22' ' ' SER . 15.5 pt -155.42 -175.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.665 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 7.8 m -123.64 164.4 19.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.047 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.19 106.04 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.31 -8.38 8.45 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -80.02 174.01 12.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.3 m -122.68 150.61 42.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.405 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.459 ' CG1' HD13 ' A' ' 94' ' ' ILE . 75.3 t -129.68 92.28 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -71.75 168.19 18.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.319 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.57 ' CD1' ' HB ' ' A' ' 5' ' ' ILE . 66.5 m-85 -146.41 125.77 13.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.516 ' CG1' ' CG ' ' A' ' 6' ' ' LYS . 8.0 p -137.06 148.43 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.393 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.489 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 7.9 mtp -78.09 113.92 16.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -73.54 -67.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 36' ' ' VAL . 7.4 tttt -175.48 146.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.498 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 2.8 t 85.4 69.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.44 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -99.13 -171.26 31.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 174.71 51.29 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.91 0.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.489 ' CD2' ' HG2' ' A' ' 33' ' ' MET . 93.7 m-70 -131.09 -171.14 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.628 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.432 ' ND2' HG12 ' A' ' 42' ' ' ILE . 27.6 p-10 -176.9 -166.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.4 t -143.05 89.82 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.397 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.554 HG23 ' CE1' ' A' ' 81' ' ' TYR . 18.2 mm -120.95 97.67 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -64.64 160.48 19.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.451 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -89.67 -48.64 7.14 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER 166.87 145.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.574 HG13 ' CD2' ' A' ' 78' ' ' TYR . 21.0 m -127.72 158.27 70.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.556 1.819 . . . . 0.0 110.971 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.2 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.488 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -55.48 -52.95 67.53 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -74.99 50.94 2.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.453 1.765 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -159.46 -45.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.01 -27.15 66.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.447 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 1.8 m -48.72 111.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.026 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -106.56 120.48 42.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 t -90.33 23.7 2.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.44 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -85.5 57.88 4.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.2 119.57 5.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.491 ' HB2' ' CE1' ' A' ' 67' ' ' PHE . . . -85.24 120.33 26.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.6 mm -69.47 -46.13 76.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.99 152.63 59.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 132.44 15.5 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.433 1.754 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 178.6 166.86 35.44 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.458 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 34.7 t -76.02 96.33 3.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 0.721 . . . . 0.0 110.074 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.491 ' CE1' ' HB2' ' A' ' 61' ' ' ALA . 6.0 m-85 -37.57 -86.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -167.94 174.27 7.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.52 150.69 43.66 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.525 1.14 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.0 m -145.67 136.4 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.7 m -92.34 128.25 38.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.096 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.543 ' N ' ' CD2' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -102.57 173.68 6.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.57 -51.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 1.0 OUTLIER -46.74 124.96 8.01 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 0.0 110.385 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 74' ' ' THR . 18.2 Cg_endo -75.02 141.4 26.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.54 1.811 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.79 -179.24 19.43 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.1 t -103.68 121.54 43.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 0.741 . . . . 0.0 110.451 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.574 ' CD2' HG13 ' A' ' 46' ' ' VAL . 6.9 m-85 -97.7 135.1 39.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p -114.17 148.44 37.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.177 . . . . 0.0 110.002 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.489 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 1.9 p90 -153.03 174.74 13.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.969 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.554 ' CE1' HG23 ' A' ' 42' ' ' ILE . 16.3 p90 -164.01 157.43 18.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.392 1.058 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.25 131.13 35.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.593 1.183 . . . . 0.0 108.271 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.52 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -62.78 -50.58 76.97 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.5 Cg_endo -74.87 -49.01 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.5 1.789 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.492 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 29.8 m80 -88.05 44.48 1.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.639 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -81.63 -38.97 25.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.4 -30.47 16.17 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.26 -14.75 61.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 0.789 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 85.67 86.83 0.98 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.465 ' CG ' ' HA ' ' A' ' 15' ' ' LEU . 8.0 ttt -148.42 78.42 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 0.717 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.8 m -124.25 146.76 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.489 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -138.96 175.04 21.8 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.486 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 1.2 m -138.58 158.68 43.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 110.431 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.459 HD13 ' CG1' ' A' ' 29' ' ' VAL . 94.1 mt -146.13 128.0 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' ILE . 92.7 m -108.78 145.67 34.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.391 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 3.1 t -128.82 77.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.665 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.473 HG23 ' CD1' ' A' ' 21' ' ' LEU . 2.6 m -115.18 177.35 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -144.86 158.58 43.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -133.45 125.53 50.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 0.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.401 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 16.0 mttp -97.46 122.42 40.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.588 1.18 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.639 ' CE ' ' CE1' ' A' ' 16' ' ' TYR . 8.1 mtp -87.9 100.39 12.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.45 148.29 9.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.422 ' CG2' HD13 ' A' ' 15' ' ' LEU . 1.7 p -113.21 161.53 17.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 0.0 110.365 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.11 -13.19 33.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.45 ' HG3' ' CB ' ' A' ' 13' ' ' ALA . 4.9 ptpt -90.66 38.37 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 37.86 33.39 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.45 ' CB ' ' HG3' ' A' ' 11' ' ' LYS . . . -112.09 118.06 46.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.417 ' CA ' HG12 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -75.02 97.8 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.422 HD13 ' CG2' ' A' ' 9' ' ' THR . 1.3 pp -149.29 151.89 34.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.639 ' CE1' ' CE ' ' A' ' 7' ' ' MET . 27.7 m-85 -77.24 132.59 38.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.482 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 6.6 tt0 -132.83 131.18 21.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -75.01 158.47 98.97 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.035 0.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -39.62 62.32 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.71 147.56 48.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.473 ' CD1' HG23 ' A' ' 3' ' ' VAL . 8.4 tp -142.01 141.05 32.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.225 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.44 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 9.7 t -129.93 143.21 50.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.471 HG23 ' CG2' ' A' ' 3' ' ' VAL . 11.6 pt -153.7 -174.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.379 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 p -122.9 171.18 9.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.579 1.174 . . . . 0.0 110.038 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.37 101.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.73 -4.13 7.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.467 ' CB ' ' HB ' ' A' ' 23' ' ' ILE . 9.8 m-20 -82.73 175.83 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 0.729 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.4 ' OG1' ' OG1' ' A' ' 71' ' ' THR . 27.4 m -129.86 157.01 43.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.373 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.41 HG12 ' CD1' ' A' ' 94' ' ' ILE . 48.1 t -134.98 107.67 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -89.02 148.25 23.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 0.0 110.254 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.411 ' N ' ' OE2' ' A' ' 30' ' ' GLU . 61.6 m-85 -126.36 122.4 35.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.485 ' CG2' ' OG ' ' A' ' 66' ' ' SER . 2.2 p -128.08 139.2 52.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.363 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 45.7 mtp -86.49 113.44 22.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.34 -67.59 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.506 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -166.93 -164.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 35' ' ' LYS . 7.9 p 46.41 58.86 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.577 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -92.69 -171.64 40.78 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -171.2 9.06 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.94 0.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.577 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 90.1 m-70 -145.48 -171.34 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.635 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 38.1 p-10 179.77 -154.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 57' ' ' ASN . 90.0 t -152.93 98.51 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.44 HG12 ' ND2' ' A' ' 40' ' ' ASN . 18.3 mm -120.03 77.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.464 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 96.7 m-85 -45.38 155.92 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 7.1 t0 -87.64 -54.23 4.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 3.2 mttp 169.32 147.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.062 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.571 HG23 ' CD2' ' A' ' 78' ' ' TYR . 0.4 OUTLIER -128.07 163.09 46.08 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.11 0 O-C-N 124.585 1.834 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.408 ' HB3' ' CB ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.497 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -54.73 -52.62 68.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.248 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.03 51.17 2.73 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 110.995 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.408 ' CB ' ' HB3' ' A' ' 51' ' ' SER . . . -157.65 -45.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.09 -17.17 64.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.241 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.416 ' CA ' ' O ' ' A' ' 41' ' ' VAL . 2.0 p -53.59 148.13 10.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.973 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -115.53 112.39 22.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.2 t -90.3 23.63 2.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.407 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -108.82 74.59 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.75 113.85 1.01 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.569 ' HB2' ' CE1' ' A' ' 67' ' ' PHE . . . -79.74 110.69 15.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 40.4 mm -74.23 -50.41 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . . . -74.07 140.31 76.87 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 63' ' ' ALA . 18.1 Cg_endo -74.99 147.9 34.59 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.34 -110.37 0.34 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.485 ' OG ' ' CG2' ' A' ' 32' ' ' VAL . 2.5 m -168.3 106.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 0.741 . . . . 0.0 109.997 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' A' ' 40' ' ' ASN . 24.0 m-85 -39.88 -87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.625 1.203 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.45 ' CE2' ' ND2' ' A' ' 57' ' ' ASN . 11.3 p90 -178.4 -178.08 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.45 159.21 21.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -150.19 143.43 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.4 ' OG1' ' OG1' ' A' ' 28' ' ' THR . 2.2 m -98.99 141.7 31.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.8 mt -113.87 171.43 7.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -152.93 -50.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -50.96 126.56 25.48 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.45 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 141.38 26.65 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.07 -178.51 20.14 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 52.5 m -104.02 118.73 37.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.785 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.571 ' CD2' HG23 ' A' ' 46' ' ' VAL . 7.1 m-85 -91.82 134.18 34.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p -119.32 147.3 44.46 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.464 ' CB ' ' HA ' ' A' ' 43' ' ' PHE . 12.2 p90 -154.66 -170.78 3.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -178.82 169.57 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.56 151.27 21.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 108.274 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.45 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -76.56 -54.88 1.71 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.382 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.45 ' HD3' ' CB ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.04 -46.35 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.575 1.829 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.44 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 21.2 m80 -86.47 48.04 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.564 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -84.77 -23.71 29.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -102.42 -22.93 9.28 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.73 -12.31 58.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.17 53.9 3.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.444 ' CE ' ' HE2' ' A' ' 7' ' ' MET . 8.1 ttt -111.74 75.42 0.92 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.578 0.81 . . . . 0.0 111.075 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.4 m -122.43 147.67 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.456 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -142.24 -175.64 15.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.431 ' N ' ' CE1' ' A' ' 80' ' ' PHE . 1.6 m -149.95 160.91 43.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 110.351 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.41 ' CD1' HG12 ' A' ' 29' ' ' VAL . 81.7 mt -147.88 117.86 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 23' ' ' ILE . 18.6 m -101.49 146.01 28.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 3.9 t -127.35 74.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.783 ' OXT' ' HG3' ' A' ' 97' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -109.32 175.77 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.409 1.068 . . . . 0.0 109.249 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -141.65 159.33 42.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.331 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.525 ' HB ' ' CD2' ' A' ' 31' ' ' PHE . 9.2 mm -126.09 112.65 30.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.381 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.486 ' HG2' ' CG1' ' A' ' 32' ' ' VAL . 4.0 mtmt -91.13 136.42 33.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.496 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 9.5 mtm -105.38 98.2 7.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.432 1.083 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.05 149.61 8.39 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.547 1.154 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.48 ' O ' ' CE ' ' A' ' 35' ' ' LYS . 6.7 p -115.4 152.07 33.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -58.67 -16.56 16.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -90.09 40.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' LYS . 76.6 m-85 37.7 51.89 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.587 1.18 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.459 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . . . -130.94 116.92 17.04 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.482 ' CA ' HG12 ' A' ' 36' ' ' VAL . 18.1 Cg_endo -75.06 91.47 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.53 1.805 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.466 HD13 ' CG2' ' A' ' 9' ' ' THR . 2.7 pp -146.06 153.95 41.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.496 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 17.0 m-85 -80.13 125.27 29.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 43.8 tt0 -129.88 130.46 23.16 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.04 152.0 97.59 Favored 'Cis proline' 0 C--N 1.361 1.212 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.023 0.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -61.12 -36.81 80.74 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.429 1.081 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 19' ' ' LYS . . . -117.67 140.73 49.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 3' ' ' VAL . 12.7 tp -145.39 143.03 29.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.6 t -130.65 142.94 50.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.012 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.469 HG23 ' CG2' ' A' ' 3' ' ' VAL . 30.6 pt -151.82 -175.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.9 m -121.63 165.42 15.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.44 106.18 0.88 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.13 -8.56 8.52 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.436 1.085 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.47 173.7 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.1 m -126.85 158.8 35.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.421 ' CG1' HD13 ' A' ' 94' ' ' ILE . 71.6 t -136.21 112.17 12.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 5' ' ' ILE . 39.7 tt0 -88.32 167.96 13.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.525 ' CD2' ' HB ' ' A' ' 5' ' ' ILE . 80.1 m-85 -146.21 121.05 9.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 111.059 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.486 ' CG1' ' HG2' ' A' ' 6' ' ' LYS . 9.7 p -124.25 151.29 29.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.1 ttp -95.96 116.02 28.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.441 ' C ' ' HG3' ' A' ' 35' ' ' LYS . 1.7 m120 -74.82 -70.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.557 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -167.49 -167.05 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.557 ' CG1' ' O ' ' A' ' 35' ' ' LYS . 7.6 p 50.43 41.05 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.621 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -80.02 -171.11 42.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -166.76 5.13 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.997 0.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.621 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 82.5 m-70 -148.18 -170.58 3.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.664 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.42 ' ND2' HD12 ' A' ' 42' ' ' ILE . 10.1 p-10 -171.5 -178.63 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.6 t -132.69 88.73 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.515 HG23 ' CZ ' ' A' ' 81' ' ' TYR . 70.0 mt -120.09 103.26 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.422 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 97.5 m-85 -68.94 157.59 36.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -85.45 -49.5 8.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.229 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER 167.25 149.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.645 ' CG1' ' CD2' ' A' ' 78' ' ' TYR . 28.4 m -128.71 158.66 71.47 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.197 0 O-C-N 124.53 1.805 . . . . 0.0 111.001 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.0 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.511 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -50.71 -51.87 61.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -74.99 50.76 2.61 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.18 -45.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.0 mt -69.34 -30.77 68.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 m -44.11 167.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.377 1.048 . . . . 0.0 109.966 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -169.8 110.63 0.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.133 . . . . 0.0 109.353 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 t -89.31 38.93 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.17 . . . . 0.0 110.402 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -98.63 72.02 1.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.39 108.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.33 107.31 19.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ALA . 7.4 tp -69.42 -47.58 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -39.9 100.23 0.21 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 62' ' ' ILE . 18.3 Cg_endo -74.93 132.03 15.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.441 1.759 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.439 ' O ' ' CG2' ' A' ' 32' ' ' VAL . . . 172.9 -79.46 0.08 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.113 . . . . 0.0 111.046 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 65' ' ' GLY . 5.1 m -168.43 97.03 0.41 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.581 0.812 . . . . 0.0 109.991 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -43.43 -85.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -175.91 177.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.498 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 11.4 t -123.68 -179.4 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 69' ' ' SER . 2.7 m -163.25 139.31 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.2 m -96.55 118.74 33.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.519 ' N ' ' CD2' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -98.92 173.53 6.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.454 ' O ' ' CG1' ' A' ' 96' ' ' VAL . . . -155.07 -59.93 0.01 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -38.85 131.56 1.13 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.596 0.821 . . . . 0.0 110.48 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 147.09 33.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 135.18 -178.77 18.31 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.576 1.173 . . . . 0.0 110.964 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.1 m -107.93 119.21 38.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 110.392 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.645 ' CD2' ' CG1' ' A' ' 46' ' ' VAL . 6.9 m-85 -93.99 133.6 37.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 p -116.73 148.64 40.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.564 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 6.7 p90 -151.27 -174.9 4.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.515 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 17.3 p90 -170.82 164.68 7.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.23 150.82 23.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.228 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.487 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.6 OUTLIER -79.12 -52.46 1.19 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.0 Cg_endo -75.04 -46.91 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.44 ' CG ' ' HB2' ' A' ' 14' ' ' PRO . 23.3 m80 -89.51 49.16 1.7 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.557 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -83.33 -31.1 27.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.367 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.77 -21.53 18.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.13 -13.4 61.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 0.728 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.91 60.23 1.98 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.552 1.158 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.436 ' CG ' ' HA ' ' A' ' 15' ' ' LEU . 8.7 ttt -119.18 81.42 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.776 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -112.2 176.84 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.564 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -170.23 176.9 43.76 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.463 ' N ' ' CE1' ' A' ' 80' ' ' PHE . 1.7 m -153.15 162.03 41.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.421 HD13 ' CG1' ' A' ' 29' ' ' VAL . 56.1 mt -151.65 122.64 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' ILE . 95.7 m -104.22 146.6 28.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.387 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 4.1 t -126.71 74.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 23' ' ' ILE . 1.9 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.234 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.465 HG21 ' CD1' ' A' ' 21' ' ' LEU . 32.0 m -110.18 176.78 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -146.47 158.42 43.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' GLU . 11.7 mm -123.42 111.65 30.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.502 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 7.0 mttp -89.14 142.36 27.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.5 mtm -110.28 100.13 9.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.07 154.74 11.2 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.409 ' CG2' HD13 ' A' ' 15' ' ' LEU . 2.0 p -117.88 156.54 28.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -58.28 -17.03 16.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.605 1.19 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 13' ' ' ALA . 9.2 mttt -90.12 41.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 38.25 30.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -101.58 112.49 65.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.438 ' C ' ' SD ' ' A' ' 90' ' ' MET . 18.3 Cg_endo -75.0 82.87 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.423 1.749 . . . . 0.0 111.058 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.415 ' CD2' ' HB3' ' A' ' 13' ' ' ALA . 3.7 pp -141.05 156.63 45.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.51 ' CD2' ' HG2' ' A' ' 90' ' ' MET . 9.4 m-85 -78.31 137.92 38.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.486 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 8.9 tt0 -142.34 131.37 11.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.94 150.48 95.52 Favored 'Cis proline' 0 C--N 1.361 1.207 0 C-N-CA 121.032 -2.487 . . . . 0.0 110.996 -0.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -47.45 -40.07 17.23 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.573 1.171 . . . . 0.0 109.278 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.38 152.04 46.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.465 ' CD1' HG21 ' A' ' 3' ' ' VAL . 8.7 tp -144.69 143.54 30.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.4 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 10.1 t -128.06 142.92 51.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' THR . 20.5 pt -152.84 -175.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.549 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 13.7 m -118.71 173.34 6.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 110.081 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.25 104.09 3.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.91 -5.2 9.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -81.93 173.11 12.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.4 m -123.09 158.24 31.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.445 1.091 . . . . 0.0 110.436 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.508 ' CG1' ' CD1' ' A' ' 94' ' ' ILE . 73.8 t -134.22 104.54 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 5' ' ' ILE . 3.3 tt0 -79.89 167.45 20.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.409 ' CE1' HG13 ' A' ' 29' ' ' VAL . 60.9 m-85 -147.51 127.97 14.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.502 ' CG1' ' CG ' ' A' ' 6' ' ' LYS . 7.4 p -134.43 154.32 37.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 61' ' ' ALA . 16.9 mtp -98.96 110.32 22.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -69.36 -68.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.442 ' O ' ' NE2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -166.56 -167.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.087 . . . . 0.0 109.342 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.594 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 1.9 t 49.22 50.3 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.573 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -99.09 -167.57 30.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.158 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.447 ' HG3' ' CD1' ' A' ' 62' ' ' ILE . 18.3 Cg_endo -74.98 178.92 32.53 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.961 -2.516 . . . . 0.0 111.023 -0.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.573 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 33.7 m-70 -134.26 -171.05 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 2.1 p30 -175.56 166.55 3.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.437 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 92.6 t -109.46 108.55 25.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.572 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 4.5 mm -129.47 76.26 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CE1' ' CG1' ' A' ' 41' ' ' VAL . 75.7 m-85 -48.68 168.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.45 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 8.6 t0 -104.79 -50.15 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER 167.94 142.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.589 ' CG1' ' CD2' ' A' ' 78' ' ' TYR . 5.3 m -127.71 154.71 77.87 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.492 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -77.17 -52.72 1.8 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -74.98 0.43 8.9 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.545 1.813 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.7 -35.93 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.2 mt -67.79 -39.95 83.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.12 126.5 14.7 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -127.83 130.46 48.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 t -89.5 20.16 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -88.31 65.14 7.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 39' ' ' HIS . 0.2 OUTLIER -54.93 131.38 44.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.408 ' HB2' ' CE1' ' A' ' 67' ' ' PHE . . . -91.32 123.54 34.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.447 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 5.8 mm -84.81 -45.39 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.4 142.93 63.35 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 176.28 10.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.432 1.754 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 138.26 -85.94 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.539 1.15 . . . . 0.0 111.015 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 67' ' ' PHE . 22.3 p 178.4 106.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 0.757 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.408 ' CE1' ' HB2' ' A' ' 61' ' ' ALA . 1.0 OUTLIER -37.32 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.7 p90 177.68 173.95 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.424 ' CB ' ' HG3' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -116.37 155.46 28.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.056 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -148.3 138.89 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 76.2 m -104.74 150.56 24.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.4 mt -117.28 170.95 8.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -156.63 34.35 0.58 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 47.0 m -151.38 135.52 9.68 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.642 0.848 . . . . 0.0 110.377 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 74' ' ' THR . 18.6 Cg_endo -74.94 151.43 39.85 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.426 1.751 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.63 -179.77 18.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.8 t -109.08 126.91 53.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.609 0.829 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.589 ' CD2' ' CG1' ' A' ' 46' ' ' VAL . 6.7 m-85 -106.92 131.05 54.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.9 t -110.8 163.44 13.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.576 ' CZ ' ' N ' ' A' ' 93' ' ' THR . 5.5 p90 -171.51 175.83 3.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.572 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 9.1 p90 -154.59 -173.18 4.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.526 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 9.9 t -133.47 96.13 3.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.462 1.101 . . . . 0.0 108.236 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.518 ' C ' ' O ' ' A' ' 82' ' ' CYS . 0.8 OUTLIER -28.99 -57.48 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.408 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.614 ' C ' ' CG ' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -74.93 131.98 15.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.068 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.614 ' CG ' ' C ' ' A' ' 84' ' ' PRO . 0.1 OUTLIER 80.3 -4.02 1.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.623 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 87' ' ' GLY . 17.7 ptt180 -41.31 -46.06 3.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.59 1.181 . . . . 0.0 110.313 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.427 ' N ' ' HG3' ' A' ' 86' ' ' ARG . . . -65.05 -36.81 93.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -63.15 -13.5 37.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.96 85.93 1.41 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.51 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 3.9 ttt -138.42 84.86 2.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 0.752 . . . . 0.0 111.092 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.5 m -120.74 159.82 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.233 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.474 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -156.24 172.6 34.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.614 1.196 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.576 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 2.5 m -153.72 163.47 39.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 0.734 . . . . 0.0 110.448 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.508 ' CD1' ' CG1' ' A' ' 29' ' ' VAL . 69.4 mt -148.63 129.44 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' ILE . 87.3 m -111.7 146.44 37.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 20.3 t -125.0 73.04 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.549 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 1.1 mm-40 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 21' ' ' LEU . 26.3 m -109.7 177.59 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.27 157.97 43.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 30' ' ' GLU . 4.1 mm -120.79 116.94 51.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.496 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 2.4 mtmp? -96.17 139.12 32.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.566 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 18.6 mtm -112.85 111.69 22.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.38 142.33 13.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.462 HG23 ' CD1' ' A' ' 15' ' ' LEU . 1.4 p -101.78 156.12 17.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 110.338 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -54.52 -19.7 6.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -89.4 40.49 0.99 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 39.21 29.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.451 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . . . -100.06 120.73 56.06 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.473 ' CG ' HG13 ' A' ' 36' ' ' VAL . 18.1 Cg_endo -75.16 103.19 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.462 ' CD1' HG23 ' A' ' 9' ' ' THR . 2.2 pp -163.21 149.46 12.1 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.444 1.09 . . . . 0.0 109.204 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.566 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 19.2 m-85 -79.71 131.69 36.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 25.8 tt0 -125.24 126.02 25.18 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.413 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.91 176.09 44.9 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.076 -0.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -37.45 86.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.52 156.97 44.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' A' ' 3' ' ' VAL . 13.1 tp -146.9 147.17 30.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.42 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 8.3 t -131.2 144.03 51.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.07 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 95' ' ' THR . 23.8 pt -153.79 -174.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.7 m -121.03 162.62 19.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.02 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.407 ' N ' HG11 ' A' ' 96' ' ' VAL . . . -63.41 105.94 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.98 -8.31 8.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -81.47 172.11 13.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 m -121.02 156.54 31.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.469 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.435 ' CG1' HD13 ' A' ' 94' ' ' ILE . 77.4 t -136.79 110.99 9.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 5' ' ' ILE . 21.6 tt0 -85.5 167.42 15.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -143.39 118.01 9.8 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.496 ' CG1' ' CG ' ' A' ' 6' ' ' LYS . 5.2 p -122.79 148.3 26.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.416 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 5.5 mtp -98.53 118.73 35.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.46 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.5 m120 -78.61 -65.77 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.439 ' O ' ' NE2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -172.28 -168.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.525 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 4.4 t 64.17 22.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.474 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -80.68 -171.39 44.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.552 1.157 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HB3' ' CB ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.06 166.34 83.52 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.968 0.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.525 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 58.8 m-70 -130.26 -147.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.56 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.41 ' ND2' ' HB ' ' A' ' 83' ' ' THR . 7.5 p-10 172.52 -175.05 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 t -130.46 96.46 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.575 HG23 ' CE1' ' A' ' 81' ' ' TYR . 1.4 mm -121.07 90.49 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -54.14 161.06 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -97.51 -51.96 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 109.375 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.7 mttt 171.88 155.93 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.075 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.568 HG23 ' CD2' ' A' ' 78' ' ' TYR . 0.5 OUTLIER -134.44 163.67 49.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.8 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.517 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -49.65 -51.49 59.12 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.01 50.74 2.61 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.582 1.833 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.46 -45.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.226 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.0 mt -66.61 -28.5 68.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.7 m -43.15 146.96 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -138.75 110.34 7.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.3 t -90.23 35.06 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.09 64.3 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.66 116.7 1.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.235 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.42 115.2 23.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.467 ' CB ' ' HB3' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -76.95 -41.11 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -44.72 109.01 0.81 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 130.07 12.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.23 38.96 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.471 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 34.1 t 61.31 94.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 0.801 . . . . 0.0 109.982 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.416 ' CD2' ' HG3' ' A' ' 33' ' ' MET . 0.4 OUTLIER -37.54 -79.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.1 p90 179.71 177.9 0.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 111.036 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.503 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 12.6 t -126.87 179.81 5.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -171.93 139.13 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.27 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 79.6 m -95.76 152.01 18.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.0 mt -120.1 170.98 8.8 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -158.65 37.95 0.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.153 . . . . 0.0 111.001 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.418 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 16.1 m -149.14 135.9 10.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.749 . . . . 0.0 110.383 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 74' ' ' THR . 18.2 Cg_endo -74.99 147.21 33.64 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.393 1.733 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.66 -178.95 19.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.469 ' CG2' HG21 ' A' ' 93' ' ' THR . 39.2 m -113.43 116.25 29.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 110.439 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.568 ' CD2' HG23 ' A' ' 46' ' ' VAL . 63.7 m-85 -90.06 127.67 36.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.23 139.7 49.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -143.04 173.23 11.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.575 ' CE1' HG23 ' A' ' 42' ' ' ILE . 6.1 p90 -159.71 166.33 30.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.77 149.28 27.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.262 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.473 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -78.91 -53.08 1.18 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.48 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.0 Cg_endo -75.11 -39.72 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -93.57 35.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.624 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.569 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -72.24 -11.22 60.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -112.18 -28.19 3.67 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.8 69.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.94 58.66 0.87 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.544 1.152 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 14' ' ' PRO . 4.7 mtp -115.55 86.14 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 30.4 m -120.67 161.81 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.566 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -149.51 153.47 25.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.469 HG21 ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -126.99 154.18 44.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.358 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.435 HD13 ' CG1' ' A' ' 29' ' ' VAL . 78.8 mt -149.09 126.17 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 23' ' ' ILE . 90.2 m -105.93 144.66 32.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.351 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 6.0 t -127.32 72.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.245 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -115.27 174.1 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -146.29 145.31 30.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 mm -105.5 110.31 30.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.348 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.518 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 2.1 mtmt -85.75 141.17 29.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.411 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 1.8 mpp? -115.99 104.87 12.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 111.03 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 104.48 135.33 8.4 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -92.11 159.21 15.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 0.803 . . . . 0.0 110.458 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -62.84 -12.93 27.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -90.98 31.17 1.11 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 47.6 34.57 3.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.092 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.18 124.95 32.06 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.476 ' CG ' HG13 ' A' ' 36' ' ' VAL . 18.1 Cg_endo -74.97 105.8 2.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.422 1.748 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.27 170.11 21.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 7' ' ' MET . 9.2 m-85 -100.72 125.6 47.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 26.4 tt0 -122.56 125.72 26.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.232 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.411 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -74.96 174.35 53.12 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.983 -0.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -63.86 -37.49 87.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.15 151.38 51.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.467 ' CD1' HG23 ' A' ' 3' ' ' VAL . 13.1 tp -139.45 139.43 37.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.424 1.077 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.1 t -128.79 141.84 51.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 95' ' ' THR . 13.3 pt -152.22 -175.71 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.8 m -120.27 159.81 24.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.55 105.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.44 -8.02 8.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -82.24 173.08 12.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 0.791 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.6 m -122.61 153.91 38.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 110.352 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.8 t -134.3 105.52 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -80.21 170.08 16.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -144.74 114.12 7.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.518 ' CG1' ' CG ' ' A' ' 6' ' ' LYS . 9.4 p -118.02 146.2 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.082 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.1 ttp -97.31 119.51 35.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.5 m120 -78.57 -66.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.92 -168.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.518 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 3.8 t 65.42 21.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.511 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -75.18 -176.08 37.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.475 ' HG3' ' CD1' ' A' ' 62' ' ' ILE . 18.4 Cg_endo -74.88 171.68 66.75 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.066 -2.472 . . . . 0.0 111.03 -0.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.518 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 75.2 m-70 -136.66 -150.22 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.582 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -178.73 178.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.531 HG13 ' CE2' ' A' ' 43' ' ' PHE . 50.2 t -131.14 54.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.571 HG23 ' CE1' ' A' ' 81' ' ' TYR . 61.2 mt -82.52 93.87 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.531 ' CE2' HG13 ' A' ' 41' ' ' VAL . 91.3 m-85 -61.98 147.62 46.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.4 t70 -74.58 -55.67 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 52' ' ' ALA . 5.1 mttt 166.6 148.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.566 HG12 ' CD2' ' A' ' 78' ' ' TYR . 0.7 OUTLIER -121.25 173.06 4.21 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.538 1.81 . . . . 0.0 111.042 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.541 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -48.41 -49.94 60.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.07 51.03 2.7 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.398 1.736 . . . . 0.0 110.94 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -157.22 -45.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.2 -34.81 71.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.52 1.138 . . . . 0.0 109.254 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.63 136.96 38.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 57' ' ' ASN . 23.6 p-10 -138.21 104.9 5.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' LEU . 9.0 t -66.18 -18.42 65.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.383 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.6 tttt -53.21 91.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 58' ' ' THR . 4.9 mt -57.9 108.9 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 109.232 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.571 ' CB ' ' CZ ' ' A' ' 67' ' ' PHE . . . -70.76 100.58 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.475 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 18.4 mm -74.93 -53.34 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.81 111.45 4.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.22 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 163.66 34.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.22 -62.99 0.45 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.422 1.076 . . . . 0.0 111.032 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.05 101.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 0.747 . . . . 0.0 109.948 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.571 ' CZ ' ' CB ' ' A' ' 61' ' ' ALA . 1.8 m-85 -38.23 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.1 p90 173.23 173.38 0.13 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.94 157.04 26.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 m -153.89 138.45 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.9 m -94.37 127.3 40.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.422 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.484 ' N ' ' CD2' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -101.65 171.94 7.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.444 ' O ' ' CG1' ' A' ' 96' ' ' VAL . . . -151.8 -64.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.1 m -39.14 129.0 1.27 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 141.49 26.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.454 1.765 . . . . 0.0 111.001 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.58 -178.27 23.44 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.3 m -110.42 111.77 23.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.439 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.566 ' CD2' HG12 ' A' ' 46' ' ' VAL . 6.0 m-85 -83.97 136.63 33.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.84 139.38 53.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.941 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.627 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -140.39 169.51 17.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.571 ' CE1' HG23 ' A' ' 42' ' ' ILE . 7.8 p90 -158.76 161.15 36.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -81.09 151.06 28.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 108.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.491 ' OG1' ' CD1' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -79.79 -54.08 0.94 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.02 -40.66 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -92.04 35.01 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.586 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.457 ' HD2' ' CE1' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -68.55 -19.32 64.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -104.68 -26.74 6.31 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.47 -22.89 67.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 0.729 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.17 54.39 1.87 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.4 mtp -109.03 81.47 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.58 0.812 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.473 HG11 ' CB ' ' A' ' 81' ' ' TYR . 27.3 m -130.06 146.78 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.551 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -128.54 -168.29 12.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.108 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.577 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -155.32 146.05 22.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.409 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.567 HD11 ' CE1' ' A' ' 80' ' ' PHE . 18.1 mt -139.31 123.5 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 23' ' ' ILE . 25.4 m -104.63 142.64 34.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.419 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 3.3 t -127.72 76.5 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.363 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.472 HG21 ' CD1' ' A' ' 21' ' ' LEU . 12.4 m -116.42 177.28 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -146.53 159.39 43.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' GLU . 8.7 mm -122.49 117.49 52.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.511 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 5.1 mttt -97.72 135.65 39.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.57 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 10.6 mtm -108.96 99.79 9.07 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.56 1.162 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.51 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 109.72 140.54 8.81 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.466 HG23 ' CD1' ' A' ' 15' ' ' LEU . 2.1 p -101.73 160.72 14.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.359 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.62 -18.09 10.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' ALA . 5.4 mtmt -89.86 39.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 37.99 29.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -99.72 119.28 60.26 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.477 ' CA ' HG12 ' A' ' 36' ' ' VAL . 18.3 Cg_endo -75.0 95.97 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.617 1.851 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.466 ' CD1' HG23 ' A' ' 9' ' ' THR . 3.0 pp -153.72 150.31 28.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.57 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 7.4 m-85 -79.99 128.72 33.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.459 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 22.4 tt0 -127.28 128.75 24.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.98 161.42 94.88 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.044 -0.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -53.06 -39.32 63.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.81 153.46 48.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.472 ' CD1' HG21 ' A' ' 3' ' ' VAL . 9.0 tp -144.17 142.98 30.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.502 ' OG ' ' CG2' ' A' ' 95' ' ' THR . 20.4 t -130.41 140.71 50.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 97' ' ' GLU . 14.1 pt -148.07 -174.53 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.964 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 7.3 m -123.87 169.86 11.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.58 105.39 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.351 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.0 -7.63 9.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.436 1.085 . . . . 0.0 111.069 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -83.07 171.65 13.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 0.786 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' A' ' 70' ' ' VAL . 27.0 m -127.0 157.55 39.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.47 ' CG1' HD23 ' A' ' 21' ' ' LEU . 45.3 t -135.13 113.52 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.8 OUTLIER -83.89 167.03 17.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -141.92 128.6 20.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.511 ' CG1' ' CG ' ' A' ' 6' ' ' LYS . 4.3 p -136.8 148.92 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.37 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -98.96 123.93 43.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.4 m120 -81.09 -63.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.518 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -175.1 -163.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.358 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.606 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 11.3 p 47.08 52.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.463 ' HA2' ' NE2' ' A' ' 39' ' ' HIS . . . -108.91 -160.89 19.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.522 1.138 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HG3' ' CD1' ' A' ' 62' ' ' ILE . 18.4 Cg_endo -74.94 179.27 31.17 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.064 -2.473 . . . . 0.0 111.065 -0.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.606 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 19.2 m-70 -136.33 -154.04 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.626 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.434 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 1.1 p30 167.59 163.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.152 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 99.1 t -103.8 99.88 9.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.518 HG23 ' CE1' ' A' ' 81' ' ' TYR . 8.7 mm -116.03 68.59 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 50.1 m-85 -36.87 155.83 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -94.85 -50.55 5.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 mttt 169.97 144.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.598 ' CG1' ' CD2' ' A' ' 78' ' ' TYR . 12.2 m -129.16 157.76 75.01 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 111.062 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.503 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -76.13 -52.3 2.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -75.03 0.41 8.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.044 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.22 -42.06 4.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.49 ' HB3' ' CE2' ' A' ' 43' ' ' PHE . 6.2 mt -59.68 -36.16 75.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.03 103.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.85 91.07 7.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.462 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . 41.2 p -53.53 -19.57 3.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.175 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -55.55 88.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.482 ' CB ' ' O ' ' A' ' 39' ' ' HIS . 0.2 OUTLIER -68.08 142.82 55.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.554 ' HB2' ' CE1' ' A' ' 67' ' ' PHE . . . -99.67 113.26 25.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 5.2 mm -83.07 -49.63 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.364 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.67 142.97 28.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 133.25 16.31 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 66' ' ' SER . . . 176.1 37.75 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' PHE . 0.3 OUTLIER 53.44 103.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.595 0.821 . . . . 0.0 110.008 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -37.57 -77.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -178.62 175.98 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 111.049 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.76 153.05 29.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 28' ' ' THR . 2.6 m -147.59 143.16 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.399 1.062 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.2 m -107.83 146.28 32.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.4 mt -120.96 172.9 7.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . -151.04 -64.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.437 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 23.4 m -51.18 135.51 30.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.439 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 74' ' ' THR . 18.5 Cg_endo -74.96 145.84 32.1 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.458 1.767 . . . . 0.0 110.971 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 147.99 179.85 24.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.446 ' CG2' HG21 ' A' ' 93' ' ' THR . 23.1 m -113.61 115.33 27.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.76 . . . . 0.0 110.398 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.598 ' CD2' ' CG1' ' A' ' 46' ' ' VAL . 7.4 m-85 -89.13 135.87 33.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.17 136.32 54.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.637 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -135.91 172.51 12.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.946 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CD1' ' HD2' ' A' ' 86' ' ' ARG . 7.2 p90 -156.79 160.32 39.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.37 141.29 32.94 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.544 1.153 . . . . 0.0 108.328 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.577 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.6 OUTLIER -79.28 -47.12 1.61 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.04 -46.65 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ALA . 62.5 m80 -87.66 13.37 10.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.643 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 2.4 ttt180 -45.56 -25.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.59 1.181 . . . . 0.0 110.26 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.64 -27.47 9.05 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -62.96 -23.81 67.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.2 53.59 2.15 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.484 1.115 . . . . 0.0 111.102 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 14' ' ' PRO . 12.3 mtp -110.66 104.68 13.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.438 HG11 ' CB ' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -140.8 155.7 22.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.38 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.568 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -142.35 170.28 25.11 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.446 HG21 ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -134.1 150.72 51.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 110.406 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.463 ' CD1' HG12 ' A' ' 29' ' ' VAL . 80.5 mt -149.68 111.37 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.502 ' CG2' ' OG ' ' A' ' 22' ' ' SER . 15.2 t -100.07 155.61 17.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.575 1.172 . . . . 0.0 110.478 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 5.4 t -129.95 72.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.964 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.468 HG23 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -110.35 177.56 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.244 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -140.17 161.12 38.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 30' ' ' GLU . 7.2 mm -123.09 119.19 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.566 1.166 . . . . 0.0 109.226 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.476 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 2.5 mtmt -95.27 129.01 42.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.514 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 3.3 mpp? -104.68 99.79 9.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 109.56 139.53 8.5 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.443 1.089 . . . . 0.0 110.949 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.469 HG23 ' CD1' ' A' ' 15' ' ' LEU . 8.6 p -99.89 159.75 14.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.435 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.13 -18.34 9.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.223 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -89.52 39.24 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 38.79 29.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.447 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . . . -98.73 119.85 60.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.475 ' CA ' HG12 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -74.91 98.08 1.12 Allowed 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.437 1.757 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.469 ' CD1' HG23 ' A' ' 9' ' ' THR . 2.2 pp -157.13 150.87 24.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.514 ' CE1' ' HG3' ' A' ' 7' ' ' MET . 11.1 m-85 -80.3 129.32 34.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 22.7 tt0 -128.27 125.32 23.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.422 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.02 -178.09 22.45 Favored 'Cis proline' 0 C--N 1.361 1.217 0 C-N-CA 121.016 -2.493 . . . . 0.0 110.999 -0.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -36.7 70.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.47 160.81 40.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.468 ' CD1' HG23 ' A' ' 3' ' ' VAL . 1.9 pt? -156.45 152.64 27.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.9 t -121.77 148.09 45.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.994 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.463 ' HB ' ' CB ' ' A' ' 27' ' ' ASP . 5.2 pt -146.04 172.17 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.65 148.92 29.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 110.062 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.02 105.88 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.45 -8.69 9.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.621 1.2 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.463 ' CB ' ' HB ' ' A' ' 23' ' ' ILE . 13.1 m-20 -77.42 177.86 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.8 m -130.38 156.78 44.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.51 HG11 ' CE1' ' A' ' 31' ' ' PHE . 89.6 t -128.29 109.54 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.279 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -87.32 167.24 14.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.51 ' CE1' HG11 ' A' ' 29' ' ' VAL . 42.5 m-85 -147.05 121.48 9.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.476 ' CG1' ' CG ' ' A' ' 6' ' ' LYS . 9.3 p -122.43 152.01 26.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.464 ' CE ' ' HA ' ' A' ' 35' ' ' LYS . 1.7 ttp -100.01 123.93 44.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.4 m120 -83.72 -64.44 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.522 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -171.53 -165.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.614 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 13.0 p 47.63 49.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.467 ' HA2' ' NE2' ' A' ' 39' ' ' HIS . . . -107.31 -164.77 21.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.462 1.101 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.421 ' HA ' ' HA3' ' A' ' 37' ' ' GLY . 18.3 Cg_endo -74.99 -176.34 17.87 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.953 -2.52 . . . . 0.0 111.055 -0.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.614 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 26.4 m-70 -139.6 -150.32 0.32 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.537 1.148 . . . . 0.0 109.597 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.6 OUTLIER 167.36 160.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.9 t -99.9 99.72 9.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.559 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 2.5 mm -111.75 68.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' ILE . 17.9 m-85 -36.53 155.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -99.7 -58.59 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 176.18 148.8 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.572 HG21 ' CD2' ' A' ' 78' ' ' TYR . 11.9 p -141.19 140.96 21.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.104 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 19.7 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.54 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -76.46 -49.95 2.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.07 0.8 8.49 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.545 1.813 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 51' ' ' SER . . . -107.46 -22.16 12.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.32 -33.24 37.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.411 ' HB3' ' N ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -49.19 121.41 4.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.05 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.52 118.14 32.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.6 t -88.58 40.52 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -100.84 70.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -41.97 104.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.548 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -85.62 99.0 10.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.8 mp -74.21 -53.83 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.5 113.18 3.04 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.38 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.08 13.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.519 1.799 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 66' ' ' SER . . . 172.29 -55.11 0.17 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.554 1.159 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER 163.65 101.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.983 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 61' ' ' ALA . 6.0 m-85 -37.79 -86.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -168.07 174.7 7.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.82 157.13 24.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.2 137.31 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.375 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.8 m -102.81 151.09 22.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.432 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.532 HD22 ' CE2' ' A' ' 78' ' ' TYR . 12.1 mt -123.04 173.53 7.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -147.74 -44.92 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 4.8 m -74.28 138.53 75.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 110.376 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 74' ' ' THR . 18.1 Cg_endo -75.08 153.62 41.52 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.458 1.767 . . . . 0.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.15 -178.68 19.33 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 54.1 m -108.51 123.13 48.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.57 0.806 . . . . 0.0 110.415 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.572 ' CD2' HG21 ' A' ' 46' ' ' VAL . 6.8 m-85 -101.58 130.54 47.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.591 1.182 . . . . 0.0 111.056 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.0 t -119.43 162.85 18.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 109.971 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.584 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 2.2 p90 -157.39 179.43 9.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.569 ' CD1' ' HD2' ' A' ' 86' ' ' ARG . 12.7 p90 -160.39 166.99 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.37 143.78 26.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 108.282 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.553 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -79.72 -48.57 1.4 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.407 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.4 Cg_endo -74.97 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.45 1.763 . . . . 0.0 111.032 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 88' ' ' ALA . 65.7 m80 -86.4 11.14 13.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.657 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.569 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 4.2 ttt180 -44.82 -25.88 0.34 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.095 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -99.01 -27.15 8.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.416 1.072 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -62.7 -24.35 67.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.01 54.3 1.77 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.537 1.148 . . . . 0.0 111.054 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.425 ' CG ' ' O ' ' A' ' 14' ' ' PRO . 10.4 mtp -112.01 98.2 7.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.472 HG11 ' CB ' ' A' ' 81' ' ' TYR . 4.1 m -140.31 151.42 21.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.584 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -136.0 -171.38 12.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.441 ' C ' ' CG1' ' A' ' 94' ' ' ILE . 3.6 m -154.72 165.28 37.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.757 . . . . 0.0 110.304 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.46 ' CG2' HD23 ' A' ' 21' ' ' LEU . 1.1 mt -151.08 165.45 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' ILE . 23.3 m -143.43 138.83 29.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.6 t -125.37 81.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.0 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.471 ' CG2' HG21 ' A' ' 29' ' ' VAL . 23.2 m -116.19 176.63 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -141.73 153.46 44.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 30' ' ' GLU . 10.7 mm -124.89 113.04 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.519 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 6.9 mttp -89.17 133.48 34.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 mtm -100.79 106.12 17.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.52 156.84 20.04 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.561 1.163 . . . . 0.0 111.078 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.02 158.83 25.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.779 . . . . 0.0 110.399 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -62.25 -14.16 35.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' CG ' ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.35 40.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.231 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER 37.34 40.57 0.21 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.418 ' HB2' ' CG ' ' A' ' 11' ' ' LYS . . . -114.15 112.59 46.84 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.454 ' HG3' ' CG1' ' A' ' 36' ' ' VAL . 18.2 Cg_endo -75.02 77.75 3.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 pp -137.59 158.12 45.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.416 ' N ' ' HG3' ' A' ' 90' ' ' MET . 5.6 m-85 -77.59 142.21 39.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 32.2 tt0 -148.45 125.81 5.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.03 166.97 81.85 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.076 -2.468 . . . . 0.0 111.008 0.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -39.06 79.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.52 146.95 45.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 94' ' ' ILE . 13.3 tp -145.78 144.55 30.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.452 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 7.3 t -130.56 145.41 51.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.026 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.452 ' CG2' ' O ' ' A' ' 22' ' ' SER . 13.4 pt -154.43 -175.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.587 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 7.4 m -122.83 170.44 10.09 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.488 1.118 . . . . 0.0 109.926 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.42 105.57 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.31 -7.92 8.5 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -80.8 173.54 12.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 m -126.6 154.3 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.373 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.471 HG21 ' CG2' ' A' ' 3' ' ' VAL . 73.1 t -130.21 100.72 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.6 OUTLIER -80.51 164.05 23.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -143.58 123.42 13.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.519 ' CG1' ' CG ' ' A' ' 6' ' ' LYS . 7.5 p -130.09 148.62 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.472 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 6.8 mtp -92.02 118.84 31.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.466 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.5 m120 -78.74 -65.8 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.44 -170.37 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.572 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 1.8 t 48.69 58.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.476 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -114.16 -164.71 15.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.079 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.418 ' HA ' ' HA3' ' A' ' 37' ' ' GLY . 18.3 Cg_endo -74.97 -178.57 23.83 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.035 0.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.572 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 8.8 m-70 -134.86 -165.44 1.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.628 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 3.0 p30 -172.49 166.54 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 57' ' ' ASN . 99.7 t -109.09 113.82 45.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.565 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 7.1 mm -136.85 74.08 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.418 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 78.5 m-85 -48.42 162.93 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -92.33 -65.71 0.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HA ' ' CB ' ' A' ' 52' ' ' ALA . 3.0 mtmt -171.05 155.06 4.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.647 ' CG2' ' CD2' ' A' ' 78' ' ' TYR . 71.4 t -134.45 143.57 47.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.479 ' HD2' ' CG1' ' A' ' 46' ' ' VAL . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.203 0 O-C-N 124.445 1.761 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.476 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -63.11 -54.12 48.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.97 50.75 2.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.464 1.771 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.55 -45.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.04 -26.11 65.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.19 126.23 29.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.975 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' VAL . 28.6 t-20 -118.81 111.7 18.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.391 1.057 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 t -86.87 44.32 1.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -113.87 76.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.216 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.53 123.95 8.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.3 121.78 44.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 63' ' ' ALA . 9.5 tp -83.43 -46.11 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -39.32 99.74 0.2 Allowed Pre-proline 0 C--N 1.323 -0.563 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.05 135.3 18.81 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.577 1.83 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.57 -57.69 0.22 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' PHE . 6.2 t 168.45 98.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.463 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 2.0 m-85 -37.45 -84.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.463 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 16.2 p90 -170.74 174.48 4.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.77 154.92 35.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.949 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.0 m -143.57 136.51 24.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.5 m -98.06 122.73 41.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 110.448 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.444 ' N ' ' CD2' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -98.66 172.78 7.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.229 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.46 -66.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.3 m -38.66 128.76 1.14 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.489 0.758 . . . . 0.0 110.404 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 141.37 26.48 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.5 -179.69 21.55 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.1 m -103.52 126.45 50.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 110.453 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.647 ' CD2' ' CG2' ' A' ' 46' ' ' VAL . 5.6 m-85 -101.42 140.16 36.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 111.058 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 p -119.13 148.15 43.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.598 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 8.3 p90 -157.54 179.92 8.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.565 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 16.7 p90 -161.65 178.07 9.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.955 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.534 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 10.3 t -125.63 97.02 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 108.241 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.532 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -28.85 -57.92 0.25 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.454 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.584 ' C ' ' CG ' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -74.96 127.68 10.9 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.58 1.832 . . . . 0.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.584 ' CG ' ' C ' ' A' ' 84' ' ' PRO . 0.7 OUTLIER 84.09 -0.39 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.622 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.5 ptt85 -42.48 -41.59 3.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.99 -33.47 59.64 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -63.55 -13.47 41.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.18 79.39 1.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.536 1.148 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' A' ' 14' ' ' PRO . 3.5 ttt -133.04 79.12 1.82 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 0.772 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.11 148.07 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.598 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -148.69 159.5 28.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.646 1.216 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.407 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 1.4 m -134.78 160.01 39.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.745 . . . . 0.0 110.428 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.465 ' CD1' HG13 ' A' ' 29' ' ' VAL . 94.8 mt -144.87 131.51 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' ILE . 92.5 m -113.62 146.75 39.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 2.9 t -127.26 78.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.202 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.587 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 1.3 tm-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.465 ' CG2' HG21 ' A' ' 29' ' ' VAL . 17.6 m -112.41 175.41 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.624 1.202 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -144.55 159.68 42.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 30' ' ' GLU . 6.0 mm -124.67 118.98 54.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.508 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 7.6 mttt -96.45 140.0 31.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.46 ' HE1' ' CD2' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -113.09 97.77 6.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.21 151.43 8.56 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.484 ' OG1' ' CB ' ' A' ' 13' ' ' ALA . 1.8 p -118.99 154.98 32.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.444 0.732 . . . . 0.0 110.351 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.62 -17.63 15.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.1 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.96 41.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 38.25 34.82 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.484 ' CB ' ' OG1' ' A' ' 9' ' ' THR . . . -106.35 110.42 63.87 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.428 ' C ' ' SD ' ' A' ' 90' ' ' MET . 18.2 Cg_endo -75.06 78.21 2.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.438 1.757 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 pp -135.41 161.37 35.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.065 . . . . 0.0 109.328 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.461 ' CD2' ' HG2' ' A' ' 90' ' ' MET . 5.7 m-85 -79.18 143.06 35.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.437 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 12.0 tt0 -146.06 126.57 7.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.0 164.89 87.36 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.961 -2.516 . . . . 0.0 111.013 -0.009 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -39.1 86.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.46 149.73 44.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.469 ' CD2' HG11 ' A' ' 29' ' ' VAL . 11.2 tp -140.68 140.73 34.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.47 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 9.5 t -129.7 143.0 50.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.47 ' CG2' ' O ' ' A' ' 22' ' ' SER . 16.1 pt -154.88 -176.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 m -121.42 165.47 15.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.07 104.13 0.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.74 -6.81 7.88 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -83.22 173.04 11.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 m -123.71 153.81 40.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.469 HG11 ' CD2' ' A' ' 21' ' ' LEU . 79.0 t -132.9 103.1 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.214 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -80.81 168.76 18.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 110.285 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -145.22 121.66 11.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.508 ' CG1' ' CG ' ' A' ' 6' ' ' LYS . 4.5 p -127.98 144.46 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.409 ' SD ' ' CE2' ' A' ' 67' ' ' PHE . 7.1 mtp -91.05 105.88 18.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -55.01 -69.73 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.573 1.171 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 1.9 pttt -169.49 -163.46 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 35' ' ' LYS . 12.1 p 47.68 41.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.572 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -86.92 -168.9 45.38 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.5 1.125 . . . . 0.0 111.046 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.462 ' CG ' HD11 ' A' ' 60' ' ' LEU . 18.6 Cg_endo -74.98 -179.42 26.58 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.006 -0.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.572 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 63.7 m-70 -133.47 -170.32 2.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 109.614 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.443 ' O ' ' CG2' ' A' ' 41' ' ' VAL . 3.3 t-20 -145.36 -161.36 1.29 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.452 ' CG1' ' O ' ' A' ' 41' ' ' VAL . 57.2 t -155.98 55.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.368 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.507 HG23 ' CE1' ' A' ' 81' ' ' TYR . 12.2 mm -91.53 124.93 44.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.471 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 83.0 m-85 -88.68 172.22 9.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -97.86 -59.33 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.81 143.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.572 HG13 ' CD1' ' A' ' 78' ' ' TYR . 4.0 m -122.33 158.99 54.28 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.4 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.49 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -59.09 -52.69 72.94 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.6 Cg_endo -74.9 50.89 2.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 111.044 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -160.3 -44.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.6 mt -68.18 -23.53 64.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.32 112.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -93.93 105.19 17.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.3 t -89.91 45.11 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.365 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -134.27 73.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.462 HD11 ' CG ' ' A' ' 38' ' ' PRO . 2.6 pp -40.66 130.42 2.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.401 ' O ' ' SD ' ' A' ' 33' ' ' MET . . . -112.6 115.97 29.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 63' ' ' ALA . 8.8 tp -79.9 -48.76 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.407 ' N ' HG22 ' A' ' 62' ' ' ILE . . . -42.87 102.19 0.27 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 130.84 13.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.566 1.824 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 66' ' ' SER . . . 174.53 -53.54 0.14 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 4.6 p 165.03 99.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 0.731 . . . . 0.0 110.07 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.46 ' CD2' ' HE1' ' A' ' 7' ' ' MET . 0.8 OUTLIER -37.42 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.7 p90 178.75 174.77 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.63 156.22 33.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 110.022 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.7 m -151.95 136.82 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 72' ' ' LEU . 2.4 m -91.37 142.72 27.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.428 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.56 HD12 ' CE2' ' A' ' 78' ' ' TYR . 67.8 mt -117.4 172.89 7.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -154.65 -52.29 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.563 1.164 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.98 124.4 6.68 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 140.61 25.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.46 -177.26 20.53 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.9 t -105.0 124.3 49.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 110.371 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.572 ' CD1' HG13 ' A' ' 46' ' ' VAL . 21.7 m-85 -98.08 141.6 30.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.3 m -119.26 149.2 42.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.003 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.582 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 18.5 p90 -163.22 -178.02 5.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.507 ' CE1' HG23 ' A' ' 42' ' ' ILE . 13.7 p90 -161.27 -175.98 5.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.542 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 7.3 t -128.03 95.61 4.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.535 ' C ' ' O ' ' A' ' 82' ' ' CYS . 0.8 OUTLIER -26.88 -57.96 0.2 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.42 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.579 ' O ' ' CG ' ' A' ' 85' ' ' HIS . 18.6 Cg_endo -75.0 126.03 9.71 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 84' ' ' PRO . 2.0 m80 87.78 -4.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.629 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.5 ptt85 -39.85 -40.77 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.339 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.67 -39.28 56.11 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.541 1.15 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -59.81 -17.25 34.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 0.802 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.06 84.53 1.66 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.461 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 5.0 ttt -137.13 82.77 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 0.768 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 30.7 m -120.84 147.28 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.582 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -147.69 155.79 26.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 78' ' ' TYR . 1.3 m -134.18 159.42 40.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 0.796 . . . . 0.0 110.374 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.461 ' CD1' HG12 ' A' ' 29' ' ' VAL . 58.6 mt -141.67 130.97 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' ILE . 87.2 m -113.22 145.31 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.372 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 3.6 t -127.11 76.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.452 ' CG2' HD23 ' A' ' 21' ' ' LEU . 22.5 m -111.51 172.4 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.589 1.181 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.46 154.24 39.58 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 mm -120.06 117.9 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.513 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 7.1 mttt -91.88 154.49 18.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.575 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 3.4 mpp? -129.04 109.21 11.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.27 133.56 8.0 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.525 ' O ' ' CE ' ' A' ' 35' ' ' LYS . 4.4 p -96.34 154.99 16.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.34 -7.56 32.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -90.24 25.23 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 53.45 48.79 21.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.439 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . . . -136.06 123.53 14.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.415 ' O ' ' HG2' ' A' ' 90' ' ' MET . 18.4 Cg_endo -74.98 111.17 3.27 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.467 1.772 . . . . 0.0 110.977 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.479 ' CD1' HG23 ' A' ' 9' ' ' THR . 0.8 OUTLIER -170.22 151.4 3.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.575 ' CD1' ' HG3' ' A' ' 7' ' ' MET . 46.0 m-85 -80.9 138.4 36.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 17.3 tt0 -131.67 126.65 21.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.424 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.99 -176.78 18.78 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.003 -0.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.36 26.32 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 175.63 137.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.469 ' CD2' HG12 ' A' ' 29' ' ' VAL . 14.0 tp -142.22 150.01 40.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.482 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 8.1 t -133.08 146.68 51.89 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.512 1.133 . . . . 0.0 109.99 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.482 ' CG2' ' O ' ' A' ' 22' ' ' SER . 30.5 pt -156.14 -174.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.6 m -118.05 169.56 9.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.079 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -69.27 104.34 2.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.22 -6.62 8.71 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -80.15 173.78 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 0.733 . . . . 0.0 109.311 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.0 m -121.89 154.94 36.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.411 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.469 HG12 ' CD2' ' A' ' 21' ' ' LEU . 85.6 t -135.9 107.7 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.39 168.05 15.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -145.58 129.12 17.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.513 ' CG1' ' CG ' ' A' ' 6' ' ' LYS . 9.9 p -131.55 136.71 56.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.4 ' SD ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -91.19 100.97 13.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.483 ' OD1' ' CE ' ' A' ' 6' ' ' LYS . 2.0 m-20 -56.69 -73.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.525 ' CE ' ' O ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -169.99 -170.39 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.478 ' CG2' ' HD3' ' A' ' 35' ' ' LYS . 21.9 t 68.29 15.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.576 ' HA2' ' CE1' ' A' ' 39' ' ' HIS . . . -69.36 -165.9 4.64 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HA ' ' HA3' ' A' ' 37' ' ' GLY . 18.3 Cg_endo -74.97 161.41 94.89 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 121.023 -2.49 . . . . 0.0 111.015 0.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.576 ' CE1' ' HA2' ' A' ' 37' ' ' GLY . 66.5 m-70 -131.9 -164.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.067 . . . . 0.0 109.616 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.575 ' HA ' ' CE2' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -178.48 -174.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.71 82.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.7 mm -103.78 74.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -38.04 157.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.062 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 2.4 t0 -90.26 -48.12 7.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 7.8 mtmt 168.23 150.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.577 ' CG1' ' CD2' ' A' ' 78' ' ' TYR . 33.6 m -130.24 158.55 73.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.448 1.762 . . . . 0.0 110.961 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 76.7 p . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.528 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -51.13 -51.04 71.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.98 51.14 2.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -159.31 -45.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.9 mt -69.59 -29.06 66.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.1 m -47.63 104.87 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.122 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -91.96 105.99 18.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.1 t -86.78 42.23 1.0 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -113.01 63.0 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 pp -39.52 116.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.453 ' HB2' ' CE1' ' A' ' 67' ' ' PHE . . . -96.76 100.18 11.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.8 tp -67.26 -45.37 86.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.228 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.58 117.71 59.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 130.88 13.69 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.495 1.787 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.28 39.71 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.423 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 1.3 t 65.69 96.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 0.734 . . . . 0.0 109.995 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.575 ' CE2' ' HA ' ' A' ' 40' ' ' ASN . 0.3 OUTLIER -38.0 -76.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.4 ' CE2' ' HD2' ' A' ' 67' ' ' PHE . 1.3 p90 179.9 174.83 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.52 155.3 37.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.946 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.0 m -153.73 136.44 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.4 m -90.24 148.46 22.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.0 mt -129.38 172.45 11.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.44 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . -151.33 -44.48 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -51.2 124.76 23.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.558 0.799 . . . . 0.0 110.389 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 141.14 26.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.97 -179.22 21.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.409 ' O ' ' CG2' ' A' ' 77' ' ' THR . 3.6 t -107.54 117.81 35.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 110.395 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.577 ' CD2' ' CG1' ' A' ' 46' ' ' VAL . 6.7 m-85 -92.63 134.81 34.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.77 145.06 43.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.567 ' CE2' ' HA3' ' A' ' 92' ' ' GLY . 0.5 OUTLIER -147.88 172.48 14.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CD1' ' HD2' ' A' ' 86' ' ' ARG . 5.8 p90 -166.43 171.43 11.93 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.567 1.167 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.15 149.28 23.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.353 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.533 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -80.67 -49.76 1.1 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.374 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.07 -45.38 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.551 1.816 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 88' ' ' ALA . 64.5 m80 -84.52 9.45 13.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.63 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -43.48 -26.72 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 85' ' ' HIS . . . -102.59 -25.45 7.69 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -62.24 -23.87 66.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.767 . . . . 0.0 109.228 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.98 54.35 1.4 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 14' ' ' PRO . 3.4 mtp -113.11 82.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 0.799 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 29.0 m -121.92 164.87 18.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.567 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -155.67 172.46 33.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.586 1.179 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.404 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -142.96 155.8 44.76 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 0.768 . . . . 0.0 110.384 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.451 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 72.0 mt -148.73 135.28 12.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 23' ' ' ILE . 46.6 m -113.98 142.89 45.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 4.0 t -128.09 74.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.218 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' ILE . 4.3 mt-10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.468 ' CB ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -122.17 176.72 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -147.39 161.43 41.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 30' ' ' GLU . 4.1 mm -125.86 121.06 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.464 ' HG3' ' CG1' ' A' ' 32' ' ' VAL . 1.9 mtmt -93.43 141.76 28.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.406 ' SD ' ' CE1' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -117.4 100.84 7.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 107.76 140.89 9.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.464 HG23 ' CD1' ' A' ' 15' ' ' LEU . 1.6 p -103.25 163.97 11.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.586 0.815 . . . . 0.0 110.383 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -67.57 -8.81 37.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -91.2 32.12 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 44.44 26.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 111.049 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.403 ' O ' ' OG1' ' A' ' 9' ' ' THR . . . -108.91 125.57 31.32 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.466 ' CA ' HG23 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -74.95 110.07 3.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.464 ' CD1' HG23 ' A' ' 9' ' ' THR . 1.3 pp -162.64 150.35 13.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.573 ' CE2' ' HE1' ' A' ' 90' ' ' MET . 31.1 m-85 -83.31 127.44 33.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 16.1 tt0 -124.33 126.23 25.54 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.42 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.0 -178.37 23.27 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.014 0.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -92.33 24.52 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 179.2 143.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.468 HD12 ' CB ' ' A' ' 3' ' ' VAL . 8.3 tp -147.31 144.09 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.8 t -131.45 141.77 49.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 97' ' ' GLU . 20.1 pt -151.33 -173.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.2 m -122.06 173.23 7.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.175 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -68.98 104.18 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.61 -6.82 7.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.428 ' CB ' ' HB ' ' A' ' 23' ' ' ILE . 4.4 m-20 -82.32 173.42 12.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 0.804 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.406 ' OG1' ' OG1' ' A' ' 71' ' ' THR . 30.5 m -124.68 157.95 34.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.413 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.539 ' CG1' ' CD1' ' A' ' 94' ' ' ILE . 65.2 t -131.83 111.74 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 5' ' ' ILE . 34.8 tt0 -90.5 163.31 14.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.408 ' CD2' HG23 ' A' ' 5' ' ' ILE . 47.9 m-85 -142.26 123.97 15.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.464 ' CG1' ' HG3' ' A' ' 6' ' ' LYS . 3.8 p -123.89 157.36 30.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 109.395 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.3 ttm -107.82 128.96 55.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.15 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.8 m120 -87.1 -62.98 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.507 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -177.18 -161.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 9.3 m 49.57 35.07 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.46 ' HA2' ' NE2' ' A' ' 39' ' ' HIS . . . -93.84 -165.64 37.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -176.68 18.6 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.013 0.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.468 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 61.9 m-70 -142.15 -148.93 0.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.566 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 178.97 177.99 0.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.434 HG13 ' CE2' ' A' ' 43' ' ' PHE . 91.6 t -126.7 71.42 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.58 HG23 ' CE1' ' A' ' 81' ' ' TYR . 30.9 mt -94.93 90.76 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.434 ' CE2' HG13 ' A' ' 41' ' ' VAL . 97.9 m-85 -55.71 156.33 5.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.3 t70 -88.81 -48.01 7.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER 166.97 144.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.601 ' CG1' ' CD2' ' A' ' 78' ' ' TYR . 6.1 m -128.15 153.76 78.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.094 0 O-C-N 124.525 1.802 . . . . 0.0 110.96 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.507 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -75.35 -51.92 3.18 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -74.97 0.2 9.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.448 1.762 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -102.38 -52.47 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.7 mt -53.52 -33.61 55.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 m -40.52 160.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.015 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -158.88 99.01 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.2 t -87.15 43.0 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ALA . 4.6 tttt -109.17 91.37 3.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.29 95.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.656 ' CB ' ' CZ ' ' A' ' 67' ' ' PHE . . . -83.82 96.5 8.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.157 . . . . 0.0 109.338 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 64' ' ' PRO . 3.1 mm -74.83 -54.79 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -39.83 100.04 0.21 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.06 130.7 13.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 110.965 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.19 48.19 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.6 t 63.82 96.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 0.781 . . . . 0.0 110.032 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.656 ' CZ ' ' CB ' ' A' ' 61' ' ' ALA . 1.3 m-85 -37.45 -82.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -169.28 175.04 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -118.95 160.9 21.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.0 m -149.49 140.2 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.406 ' OG1' ' OG1' ' A' ' 28' ' ' THR . 2.9 m -103.33 136.3 43.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.379 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.69 ' CD2' ' CE2' ' A' ' 78' ' ' TYR . 0.7 OUTLIER -115.84 172.39 7.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . -149.97 -56.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 19.4 m -53.27 136.37 50.2 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.486 0.756 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 74' ' ' THR . 18.3 Cg_endo -75.04 147.29 33.57 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.467 1.772 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.37 179.6 20.93 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 t -113.25 121.4 44.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.773 . . . . 0.0 110.404 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.69 ' CE2' ' CD2' ' A' ' 72' ' ' LEU . 7.2 m-85 -96.82 130.55 44.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -117.17 142.73 46.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.014 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -142.6 171.09 14.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.58 ' CE1' HG23 ' A' ' 42' ' ' ILE . 11.2 p90 -157.46 170.01 23.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -91.3 146.82 23.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 108.284 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.473 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -75.24 -55.27 2.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 110.357 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.98 -35.51 3.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -102.19 69.69 1.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 109.615 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -98.62 -11.72 21.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -110.35 -27.58 4.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.64 -23.36 67.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.787 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.81 55.57 1.51 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.573 ' HE1' ' CE2' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -108.04 74.89 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.73 . . . . 0.0 111.032 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.469 HG11 ' CB ' ' A' ' 81' ' ' TYR . 22.6 m -127.77 146.92 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.604 ' O ' ' CE1' ' A' ' 80' ' ' PHE . . . -139.53 154.84 23.83 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.122 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.94 157.26 30.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.783 . . . . 0.0 110.423 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.539 ' CD1' ' CG1' ' A' ' 29' ' ' VAL . 74.7 mt -149.46 118.12 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' ILE . 82.6 m -101.5 144.17 30.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.416 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 4.5 t -125.12 73.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 23' ' ' ILE . 6.7 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.464 HG23 ' CD1' ' A' ' 21' ' ' LEU . 1.7 m -112.32 177.22 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.168 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -144.67 160.4 41.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 30' ' ' GLU . 10.4 mm -125.94 119.35 54.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.495 ' CE ' ' OD1' ' A' ' 34' ' ' ASN . 4.5 mttp -99.55 128.62 45.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.232 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.559 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 46.6 mtm -99.51 102.93 14.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 106.45 146.86 13.99 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.451 1.094 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p -110.15 164.46 12.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.751 . . . . 0.0 110.42 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.418 ' HA ' ' CE ' ' A' ' 35' ' ' LYS . 10.2 t70 -63.5 -12.82 35.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' ALA . 4.3 mttt -90.69 37.98 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 38.53 29.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.456 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . . . -102.55 116.25 63.09 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.525 ' CB ' ' CD2' ' A' ' 85' ' ' HIS . 18.2 Cg_endo -75.02 86.02 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.548 1.815 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 13' ' ' ALA . 2.2 pp -144.25 152.78 41.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.559 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 5.3 m-85 -75.7 139.64 42.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 111.065 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 24.1 tt0 -144.07 126.42 8.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.0 170.67 71.23 Favored 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.036 -2.485 . . . . 0.0 110.982 0.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -38.63 61.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.37 144.08 47.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.464 ' CD1' HG23 ' A' ' 3' ' ' VAL . 12.1 tp -143.8 142.7 31.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.565 1.166 . . . . 0.0 109.26 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.435 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 7.7 t -132.26 144.26 50.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.951 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 95' ' ' THR . 11.1 pt -153.73 -176.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.17 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.5 m -117.8 168.5 10.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.423 1.077 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.77 103.71 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.37 -7.07 8.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.11 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.405 ' CB ' ' HB ' ' A' ' 23' ' ' ILE . 25.0 m-20 -78.44 175.44 10.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.0 m -127.73 158.36 37.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.462 ' CG1' HD13 ' A' ' 94' ' ' ILE . 54.0 t -136.49 111.62 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 5' ' ' ILE . 13.9 tt0 -87.85 166.76 14.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -145.03 130.68 18.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.44 ' CG1' ' HG2' ' A' ' 6' ' ' LYS . 3.6 p -137.17 156.45 33.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.36 103.59 15.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -58.76 -70.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.507 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -173.57 -161.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.547 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 12.9 p 47.33 44.1 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.411 ' HA2' ' CE1' ' A' ' 39' ' ' HIS . . . -90.18 -162.04 37.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HA ' ' HA3' ' A' ' 37' ' ' GLY . 18.4 Cg_endo -74.97 171.96 65.44 Favored 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.009 0.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.696 ' CE1' ' CE1' ' A' ' 85' ' ' HIS . 86.4 m-70 -137.78 176.27 8.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.565 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 3.5 p30 -161.45 169.12 22.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.588 1.18 . . . . 0.0 109.233 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.8 t -113.58 110.03 30.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.251 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.404 HG23 ' CE1' ' A' ' 81' ' ' TYR . 9.4 mm -135.35 90.86 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.401 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 90.7 m-85 -57.83 164.85 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 0.0 111.104 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -98.96 -51.5 3.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 mttp 171.79 147.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.565 HG12 ' CD2' ' A' ' 78' ' ' TYR . 4.1 m -133.87 155.77 79.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.593 1.183 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 0.0 111.013 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.46 ' HB3' ' CB ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.512 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -74.83 -51.92 3.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -74.96 0.46 8.86 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.567 1.825 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 51' ' ' SER . . . -108.05 -42.11 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.81 -36.67 79.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.11 124.1 13.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.068 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -124.55 123.66 40.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.2 t -90.87 33.93 0.92 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -93.56 55.58 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.547 ' CD1' ' CD1' ' A' ' 62' ' ' ILE . 1.7 pp -45.73 137.86 5.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.551 ' HB2' ' CE1' ' A' ' 67' ' ' PHE . . . -103.36 120.01 39.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.547 ' CD1' ' CD1' ' A' ' 60' ' ' LEU . 18.4 mm -78.45 -46.92 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.51 147.47 49.64 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 164.62 32.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.0 -93.07 0.12 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.518 1.137 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' PHE . 85.5 p 179.2 98.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 109.967 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.551 ' CE1' ' HB2' ' A' ' 61' ' ' ALA . 1.6 m-85 -37.33 -82.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 11.0 p90 177.57 177.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.499 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 11.4 t -122.36 -179.75 4.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.012 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -170.03 144.65 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.2 m -102.51 145.59 29.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.094 . . . . 0.0 110.419 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.4 mt -116.47 172.0 7.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.14 -48.06 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.57 1.169 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.9 m -64.56 129.51 94.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 110.479 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 148.34 35.13 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.28 -179.8 22.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.7 t -106.27 122.99 47.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.372 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.565 ' CD2' HG12 ' A' ' 46' ' ' VAL . 6.3 m-85 -98.41 139.15 34.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p -125.29 144.51 50.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.4 1.062 . . . . 0.0 110.074 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.583 ' CE1' ' C ' ' A' ' 92' ' ' GLY . 6.6 p90 -149.24 -173.12 4.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.062 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.404 ' CE1' HG23 ' A' ' 42' ' ' ILE . 3.2 p90 -166.59 174.95 8.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.545 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 52.0 t -121.11 99.81 6.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 108.282 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.544 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -27.14 -58.86 0.21 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.102 . . . . 0.0 110.415 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.545 ' HD2' ' SG ' ' A' ' 82' ' ' CYS . 18.5 Cg_endo -75.0 143.69 29.35 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.696 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 14.6 m80 85.46 -62.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER 37.88 -93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.268 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -45.2 -24.34 0.88 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.572 1.17 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 85' ' ' HIS . . . -60.46 -15.44 26.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.97 55.6 1.84 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.541 1.151 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.446 ' SD ' ' C ' ' A' ' 14' ' ' PRO . 1.3 ttt -117.42 65.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.733 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.5 m -119.01 146.4 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.583 ' C ' ' CE1' ' A' ' 80' ' ' PHE . . . -146.45 164.55 28.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -140.27 161.35 37.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.75 . . . . 0.0 110.383 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.462 HD13 ' CG1' ' A' ' 29' ' ' VAL . 95.4 mt -142.94 131.92 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' ILE . 41.4 m -115.07 142.53 46.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.435 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 17.7 t -126.79 74.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.274 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.456 ' CG2' HG23 ' A' ' 23' ' ' ILE . 1.2 m -125.74 177.46 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -148.5 159.37 44.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.506 ' HB ' ' CD1' ' A' ' 31' ' ' PHE . 12.5 mm -125.07 107.89 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -89.3 139.1 30.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.414 ' HG2' ' CE ' ' A' ' 90' ' ' MET . 3.5 mtm -108.86 101.51 10.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.445 ' O ' ' ND2' ' A' ' 34' ' ' ASN . . . 117.86 145.31 7.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.9 p -110.15 158.6 18.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -60.58 -15.16 25.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.51 38.96 0.96 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 40.16 28.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -104.08 116.21 61.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.44 ' CA ' HG12 ' A' ' 36' ' ' VAL . 18.3 Cg_endo -75.06 92.66 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.567 1.825 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.438 ' CA ' ' SD ' ' A' ' 90' ' ' MET . 6.9 tt -142.08 172.24 12.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.416 ' CE2' ' HB2' ' A' ' 82' ' ' CYS . 5.2 m-85 -96.37 127.86 42.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.074 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.476 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 18.9 tt0 -132.95 130.53 21.53 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.4 1.063 . . . . 0.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.476 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.1 Cg_endo -75.03 150.94 96.22 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.009 0.055 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.73 -39.94 19.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.26 148.27 48.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.411 HD12 ' CB ' ' A' ' 3' ' ' VAL . 5.9 tp -139.55 140.39 37.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 t -128.87 141.27 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.618 1.199 . . . . 0.0 109.952 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.456 HG23 ' CG2' ' A' ' 3' ' ' VAL . 15.0 pt -150.72 -176.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.769 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 8.7 m -121.76 161.94 21.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.041 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.54 105.82 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.7 -7.98 8.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -82.17 173.83 11.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.789 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.0 m -122.66 155.87 35.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.474 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.459 HG12 ' CD1' ' A' ' 94' ' ' ILE . 85.2 t -129.38 107.08 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 5' ' ' ILE . 1.3 tt0 -84.99 166.01 17.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.506 ' CD1' ' HB ' ' A' ' 5' ' ' ILE . 73.2 m-85 -142.92 123.94 14.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.142 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -122.59 151.28 26.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.521 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 1.9 ttp -103.62 83.95 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.985 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -40.39 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.363 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.525 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -169.43 -162.8 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.525 ' CG1' ' O ' ' A' ' 35' ' ' LYS . 12.9 p 48.14 46.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.599 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -90.99 -163.3 38.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.47 ' HG3' ' CD1' ' A' ' 62' ' ' ILE . 18.4 Cg_endo -74.99 174.95 50.02 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.026 -2.489 . . . . 0.0 111.005 -0.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.599 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 66.3 m-70 -132.51 -172.01 2.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.623 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.513 ' OD1' ' CD ' ' A' ' 84' ' ' PRO . 6.6 p-10 -169.95 -175.71 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.0 t -133.89 108.32 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.531 HG21 ' CZ ' ' A' ' 81' ' ' TYR . 59.4 mt -137.98 104.04 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -74.38 166.26 23.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -97.53 -54.34 3.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.607 1.192 . . . . 0.0 109.311 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 mttt 177.85 148.56 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.69 ' CG1' ' CD2' ' A' ' 78' ' ' TYR . 9.6 m -130.8 156.2 80.29 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 111.044 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.499 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -63.25 -52.34 62.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -75.05 50.48 2.55 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.522 1.801 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.6 -45.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.25 -20.91 63.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 p -58.11 144.83 38.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.958 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -135.96 113.13 10.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.7 t -90.12 24.92 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.452 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.6 74.54 10.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.54 114.81 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.563 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -91.24 110.94 22.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.242 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.47 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 9.4 mm -75.31 -50.22 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.45 114.5 14.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 141.92 27.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.793 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.39 -73.16 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.0 t -173.49 104.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 109.98 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -45.32 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.8 p90 177.93 176.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.86 159.55 24.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 m -151.48 136.8 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.9 m -97.4 142.41 29.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.4 mt -129.43 172.48 11.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.48 -51.04 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 0.0 111.022 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -41.69 123.08 2.38 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.507 0.769 . . . . 0.0 110.4 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 141.55 26.87 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.63 -179.05 20.05 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.4 m -103.9 127.02 51.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 110.449 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.69 ' CD2' ' CG1' ' A' ' 46' ' ' VAL . 6.5 m-85 -102.73 135.58 44.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.4 m -114.32 145.12 42.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.048 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.599 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 8.6 p90 -156.05 179.31 9.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.531 ' CZ ' HG21 ' A' ' 42' ' ' ILE . 7.4 p90 -154.89 -174.77 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.517 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 11.3 t -131.48 101.05 5.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.238 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.569 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -31.55 -59.97 0.33 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.586 ' C ' ' CG ' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -74.99 128.53 11.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.586 ' CG ' ' C ' ' A' ' 84' ' ' PRO . 1.9 m80 87.39 -2.98 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -38.29 -52.71 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -68.22 -34.64 81.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -61.49 -14.77 31.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.398 0.705 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.52 91.18 1.39 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.438 ' SD ' ' CA ' ' A' ' 15' ' ' LEU . 3.6 ttt -148.07 93.41 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.387 0.698 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.7 m -132.88 147.39 31.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.599 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -146.69 154.57 26.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.547 1.154 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -128.2 158.27 38.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.348 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.459 ' CD1' HG12 ' A' ' 29' ' ' VAL . 74.0 mt -142.99 123.6 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.366 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ILE . 94.1 m -109.07 146.6 33.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.447 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 3.8 t -127.41 75.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.769 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.429 HG23 ' CD1' ' A' ' 21' ' ' LEU . 13.6 m -112.6 176.8 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -148.46 152.03 36.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 110.282 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' GLU . 4.4 mm -115.53 112.76 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.462 ' HG2' ' CG1' ' A' ' 32' ' ' VAL . 26.9 mttt -81.85 141.6 33.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.589 ' CE ' ' CD1' ' A' ' 67' ' ' PHE . 3.1 mpp? -114.95 103.46 10.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 104.59 143.26 12.07 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.58 1.175 . . . . 0.0 111.009 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.507 ' OG1' ' CB ' ' A' ' 13' ' ' ALA . 81.4 p -112.82 154.24 26.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.565 0.803 . . . . 0.0 110.396 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -61.08 -15.1 29.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -91.41 39.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 42.06 32.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.507 ' CB ' ' OG1' ' A' ' 9' ' ' THR . . . -107.73 103.0 47.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.422 ' C ' ' SD ' ' A' ' 90' ' ' MET . 18.2 Cg_endo -75.04 81.18 2.28 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.538 1.81 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.433 HD13 ' CG2' ' A' ' 9' ' ' THR . 3.6 pp -141.51 155.29 45.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -72.43 124.63 25.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.417 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 21.5 tt0 -119.91 125.38 27.4 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.417 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.1 Cg_endo -75.02 -174.11 13.54 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.985 -2.506 . . . . 0.0 110.924 0.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.58 23.54 3.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 176.81 137.09 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.429 ' CD1' HG23 ' A' ' 3' ' ' VAL . 11.1 tp -138.34 143.48 39.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.449 ' HA ' ' CG2' ' A' ' 95' ' ' THR . 23.2 t -128.69 139.05 52.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.059 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 97' ' ' GLU . 18.6 pt -145.87 -173.73 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.2 m -119.83 175.2 6.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.936 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.15 101.94 3.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.23 1.52 9.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.402 ' CB ' ' HB ' ' A' ' 23' ' ' ILE . 5.6 m-20 -86.41 175.08 8.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.785 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.2 m -124.61 157.02 36.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.467 ' CG1' HD13 ' A' ' 94' ' ' ILE . 89.7 t -132.7 106.4 10.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 5' ' ' ILE . 3.3 tt0 -87.55 169.27 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -146.63 127.74 14.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 111.009 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.462 ' CG1' ' HG2' ' A' ' 6' ' ' LYS . 3.5 p -128.14 142.82 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -91.51 116.1 28.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 2.0 m120 -75.47 -68.19 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.546 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -170.57 -167.58 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.546 ' CG1' ' O ' ' A' ' 35' ' ' LYS . 8.8 p 49.74 41.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.222 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.597 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -89.52 -162.74 38.69 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.147 . . . . 0.0 111.072 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -179.84 28.07 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.026 0.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.597 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 52.0 m-70 -135.75 -173.38 3.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.636 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.481 ' ND2' ' CG1' ' A' ' 42' ' ' ILE . 50.6 p-10 -164.63 -172.21 2.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.3 t -136.08 90.48 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.517 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 10.8 mm -119.63 112.35 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -76.98 159.73 29.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.7 t0 -91.61 -49.3 6.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.534 1.146 . . . . 0.0 109.393 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 2.2 mtmt 168.58 144.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.513 HG13 ' CD1' ' A' ' 78' ' ' TYR . 10.2 m -123.09 157.91 59.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.509 ' CB ' ' CG1' ' A' ' 46' ' ' VAL . . . -54.44 -52.44 69.4 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.95 50.99 2.65 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.83 -45.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.51 -33.07 70.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -43.0 122.3 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -124.33 127.6 47.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.5 t -91.14 33.21 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 110.392 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -88.21 69.54 9.18 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.56 127.55 28.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.567 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . . . -96.86 107.26 19.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.43 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 1.7 mp -75.12 -51.81 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.82 144.15 98.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 131.57 14.53 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.03 -135.91 3.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -131.36 106.32 8.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 0.807 . . . . 0.0 109.984 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.589 ' CD1' ' CE ' ' A' ' 7' ' ' MET . 28.3 m-85 -37.4 -73.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 111.046 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.6 p90 175.22 174.61 0.23 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.19 164.01 15.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -155.78 138.49 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 90.5 m -99.27 152.32 20.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.392 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.563 HD22 ' CE2' ' A' ' 78' ' ' TYR . 1.6 mt -123.98 169.15 11.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.396 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -156.06 42.31 0.56 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.43 1.081 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -145.97 128.59 8.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.566 0.803 . . . . 0.0 110.385 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 141.67 26.87 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.17 -179.89 18.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.4 t -106.34 122.98 47.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 110.378 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.563 ' CE2' HD22 ' A' ' 72' ' ' LEU . 21.8 m-30 -96.23 145.72 25.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.09 138.1 54.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.469 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 3.0 p90 -146.04 178.77 7.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.517 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 14.3 p90 -155.12 175.25 14.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.539 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 8.7 t -124.05 99.61 6.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 108.32 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.545 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -30.65 -58.96 0.31 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.35 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.623 ' C ' ' CG ' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -75.0 132.67 15.69 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.48 1.779 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.623 ' CG ' ' C ' ' A' ' 84' ' ' PRO . 0.1 OUTLIER 80.3 -3.94 1.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.617 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -42.37 -41.21 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.372 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.74 -36.97 88.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -63.32 -14.67 52.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.66 79.97 1.37 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 14' ' ' PRO . 5.3 ttt -129.89 84.88 2.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 0.758 . . . . 0.0 111.034 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.8 m -124.62 147.66 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.469 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -141.92 160.76 27.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.93 151.9 49.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 0.72 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.467 HD13 ' CG1' ' A' ' 29' ' ' VAL . 84.1 mt -143.97 117.85 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.449 ' CG2' ' HA ' ' A' ' 22' ' ' SER . 15.1 t -106.3 155.83 19.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.43 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.408 HG21 ' CD1' ' A' ' 23' ' ' ILE . 37.9 t -130.3 72.72 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.587 1.18 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.429 ' N ' ' OD2' ' A' ' 27' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m 62.49 93.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.526 ' CG2' ' CD2' ' A' ' 21' ' ' LEU . 15.0 m -120.6 174.66 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -143.53 146.1 33.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.498 ' HB ' ' CD2' ' A' ' 31' ' ' PHE . 7.6 mm -106.37 108.79 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.429 ' HG2' ' CG1' ' A' ' 32' ' ' VAL . 37.0 mttt -88.65 129.26 35.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -100.68 103.85 15.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.16 144.11 10.07 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.449 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 1.2 p -108.05 164.52 12.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 0.721 . . . . 0.0 110.388 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -63.66 -12.81 36.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HE2' ' CB ' ' A' ' 9' ' ' THR . 14.4 pttt -90.78 37.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 38.98 29.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.447 ' CB ' ' HG3' ' A' ' 11' ' ' LYS . . . -105.35 117.48 58.18 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.405 ' HG3' ' CG1' ' A' ' 36' ' ' VAL . 18.4 Cg_endo -74.94 96.52 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.526 1.803 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.446 ' HA ' ' CG ' ' A' ' 90' ' ' MET . 3.0 pp -150.2 156.97 42.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.421 ' N ' ' HG3' ' A' ' 90' ' ' MET . 4.1 m-85 -81.0 130.54 35.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.492 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 25.5 tt0 -139.58 134.01 16.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.01 139.3 60.94 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.032 -2.487 . . . . 0.0 111.023 0.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' PRO . 2.0 tttt -39.59 -39.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.42 145.18 50.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.526 ' CD2' ' CG2' ' A' ' 3' ' ' VAL . 12.1 tp -142.15 142.06 32.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -128.93 143.83 51.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.968 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 95' ' ' THR . 18.8 pt -150.13 -175.48 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.965 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 8.1 m -106.67 170.18 8.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.163 . . . . 0.0 110.087 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.466 ' HA ' ' CG1' ' A' ' 96' ' ' VAL . . . -72.65 101.48 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.47 -3.29 9.51 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.429 ' OD2' ' N ' ' A' ' 1' ' ' ALA . 8.9 m-20 -76.97 176.46 8.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.1 m -122.67 154.64 37.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.444 HG11 ' CE1' ' A' ' 31' ' ' PHE . 73.2 t -132.47 103.15 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 5' ' ' ILE . 7.8 tt0 -80.02 170.2 16.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.586 1.179 . . . . 0.0 110.317 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.498 ' CD2' ' HB ' ' A' ' 5' ' ' ILE . 57.4 m-85 -148.97 118.07 6.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 66' ' ' SER . 3.1 p -125.18 149.43 29.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.512 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 24.8 mtp -92.72 112.67 24.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.424 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.3 m120 -71.47 -67.54 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.74 -175.04 2.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.457 ' O ' ' NE2' ' A' ' 39' ' ' HIS . 3.8 t 55.18 67.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.414 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -100.69 -172.47 29.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.563 1.164 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 178.5 34.41 Favored 'Cis proline' 0 C--N 1.361 1.211 0 C-N-CA 120.944 -2.523 . . . . 0.0 111.039 -0.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.512 ' CD2' ' HG2' ' A' ' 33' ' ' MET . 93.6 m-70 -133.5 -171.22 2.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.594 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.413 ' ND2' HD11 ' A' ' 42' ' ' ILE . 7.4 p-10 -175.41 -173.2 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' ASN . 93.5 t -138.31 89.69 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.521 HG21 ' CZ ' ' A' ' 81' ' ' TYR . 67.3 mt -122.22 100.87 9.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.44 ' N ' ' OG ' ' A' ' 56' ' ' SER . 98.1 m-85 -61.76 160.46 11.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.45 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 4.6 t70 -90.56 -50.56 5.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 4.2 mtmt 167.24 146.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.597 1.186 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.569 HG13 ' CD2' ' A' ' 78' ' ' TYR . 9.3 m -128.69 158.37 72.34 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 163.13 36.0 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.509 1.794 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.91 134.85 1.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.354 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 74' ' ' THR . . . 135.46 -61.36 0.63 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.559 1.162 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.4 -172.83 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 110.327 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.4 m -131.72 78.32 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.523 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -54.38 -51.26 79.59 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.09 51.03 2.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -159.09 -48.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.2 mt -67.92 -21.08 65.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' A' ' 43' ' ' PHE . 3.0 m -50.7 167.17 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.975 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' VAL . 5.2 t-20 -160.57 108.1 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.1 t -89.54 21.3 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.453 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -85.75 55.67 3.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 pp -40.45 127.5 2.38 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.472 ' HB2' ' CE1' ' A' ' 67' ' ' PHE . . . -114.35 117.21 30.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.2 tp -68.33 -43.95 84.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.54 120.17 12.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 131.15 14.08 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.85 -167.32 40.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.463 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -90.26 97.28 11.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 0.73 . . . . 0.0 110.011 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.472 ' CE1' ' HB2' ' A' ' 61' ' ' ALA . 2.1 m-85 -37.51 -76.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -178.11 174.32 1.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.8 159.79 23.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.976 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 m -152.21 136.97 10.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 72' ' ' LEU . 1.9 m -95.88 147.2 23.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.41 ' N ' HG22 ' A' ' 71' ' ' THR . 1.0 OUTLIER -125.96 172.45 9.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.58 -44.77 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.516 1.135 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.466 ' CG2' ' HA3' ' A' ' 49' ' ' GLY . 1.2 m -55.77 123.93 54.67 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.449 0.735 . . . . 0.0 110.405 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 143.83 29.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.26 -178.93 20.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.108 . . . . 0.0 111.058 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -103.81 125.26 50.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 110.392 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.569 ' CD2' HG13 ' A' ' 46' ' ' VAL . 7.1 m-85 -106.94 138.91 42.22 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.6 t -116.72 165.32 13.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.567 ' CE1' ' HA3' ' A' ' 92' ' ' GLY . 14.5 p90 -163.74 -178.05 5.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.521 ' CZ ' HG21 ' A' ' 42' ' ' ILE . 11.4 p90 -167.94 162.37 13.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 111.052 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.24 147.73 24.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.346 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.491 ' OG1' ' CD1' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -76.09 -54.95 1.92 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.446 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.02 -31.24 6.34 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.412 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 21.1 m80 -107.45 67.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.607 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -101.16 -27.48 13.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -99.32 -22.38 13.01 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.24 -10.9 55.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 80.24 54.83 3.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.446 ' CG ' ' HA ' ' A' ' 15' ' ' LEU . 9.0 ttt -115.95 77.87 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 0.73 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.56 150.54 32.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 80' ' ' PHE . . . -142.15 -173.31 14.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.432 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 1.3 m -152.89 159.55 43.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.577 0.81 . . . . 0.0 110.424 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.566 HD11 ' CE2' ' A' ' 80' ' ' PHE . 5.8 mt -136.96 151.23 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' ILE . 2.7 m -130.43 138.4 50.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 25' ' ' ALA . 53.8 t -124.79 85.94 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.965 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -158.27 155.1 28.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.955 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.462 HG21 ' CD1' ' A' ' 21' ' ' LEU . 3.0 m -126.79 177.35 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.29 148.23 36.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' GLU . 8.4 mm -113.34 110.99 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.482 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 23.2 mttt -91.21 128.92 37.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.493 ' HE3' ' CD2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -101.55 98.61 8.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.05 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.64 150.41 9.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 p -115.06 155.9 26.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 110.363 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -60.17 -15.6 25.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.41 40.07 1.0 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.216 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 40.24 28.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -103.83 113.25 65.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.429 ' CA ' HG12 ' A' ' 36' ' ' VAL . 18.3 Cg_endo -75.07 89.38 1.17 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' HA ' ' CG ' ' A' ' 90' ' ' MET . 1.8 tt -140.58 170.77 15.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.589 1.18 . . . . 0.0 109.354 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -93.82 127.35 39.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.476 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 16.6 tt0 -131.42 130.64 22.58 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.476 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -74.98 151.84 97.44 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.959 -2.517 . . . . 0.0 110.982 -0.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -49.52 -39.86 35.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.76 152.1 44.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.462 ' CD1' HG21 ' A' ' 3' ' ' VAL . 11.1 tp -144.96 142.8 30.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.474 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 9.9 t -129.57 143.09 50.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.474 ' CG2' ' O ' ' A' ' 22' ' ' SER . 12.9 pt -155.12 -175.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.426 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 5.0 p -120.9 169.34 10.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.472 1.107 . . . . 0.0 110.031 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.62 105.61 1.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.9 -7.26 8.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -81.23 173.84 12.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.356 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 m -127.11 154.09 45.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 110.416 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.532 HG13 ' CE1' ' A' ' 31' ' ' PHE . 97.6 t -131.56 102.57 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 5' ' ' ILE . 12.2 tt0 -77.3 170.37 16.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.254 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.532 ' CE1' HG13 ' A' ' 29' ' ' VAL . 39.8 m-85 -147.24 118.25 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.482 ' CG1' ' CG ' ' A' ' 6' ' ' LYS . 9.9 p -122.09 152.22 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.573 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 2.7 ttp -94.85 119.26 33.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.38 -65.78 0.91 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.491 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -171.19 -167.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.233 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.504 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 8.9 p 46.16 55.91 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.598 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -90.94 -171.81 43.51 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HG3' ' CD1' ' A' ' 62' ' ' ILE . 18.2 Cg_endo -75.03 -169.02 6.98 Favored 'Cis proline' 0 C--N 1.361 1.206 0 C-N-CA 120.925 -2.531 . . . . 0.0 111.0 -0.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.598 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 81.2 m-70 -145.52 -170.6 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.547 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 1.6 p30 171.84 167.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 41.1 t -108.17 111.33 35.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.5 mm -129.18 69.52 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.401 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 65.8 m-85 -37.95 157.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.1 t70 -92.76 -49.07 6.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 1.8 mttt 167.51 149.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.634 ' CG1' ' CD2' ' A' ' 78' ' ' TYR . 30.0 m -131.14 159.1 73.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 48' ' ' ALA . 18.1 Cg_endo -75.02 160.45 40.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' PRO . . . -39.26 134.86 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.46 ' HA3' ' CG2' ' A' ' 74' ' ' THR . . . 134.79 -58.65 0.68 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.4 -172.18 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.59 0.818 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.95 78.86 1.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.989 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.536 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -54.67 -50.41 85.82 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.2 Cg_endo -75.01 51.02 2.68 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -159.43 -45.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.24 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.6 mt -70.22 -28.25 65.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.47 94.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -83.88 116.54 22.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 t -90.28 35.65 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -99.76 74.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.64 103.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -81.07 108.01 14.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.373 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 26.0 mm -72.24 -49.12 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.34 114.04 27.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.43 21.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.43 55.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.6 m 55.21 89.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.968 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 2.0 m-85 -37.49 -83.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.438 1.087 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -171.1 174.77 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.17 159.02 26.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.023 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.5 m -148.52 136.23 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.3 m -96.52 121.16 38.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.419 ' N ' ' CD2' ' A' ' 72' ' ' LEU . 1.9 mm? -91.87 173.21 7.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -151.48 -63.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 111.056 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.46 ' CG2' ' HA3' ' A' ' 49' ' ' GLY . 2.0 m -45.39 130.5 6.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.434 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 144.52 30.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.78 -178.59 19.62 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.2 m -106.5 118.47 36.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.371 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.634 ' CD2' ' CG1' ' A' ' 46' ' ' VAL . 7.1 m-85 -93.4 139.67 30.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.386 1.054 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p -121.17 146.54 46.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.473 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 8.5 p90 -147.79 -173.57 4.32 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.46 ' CB ' HG11 ' A' ' 91' ' ' VAL . 15.8 p90 -172.15 166.15 6.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.89 123.85 37.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 108.341 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.506 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -53.27 -51.32 76.47 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.4 Cg_endo -74.9 -59.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.484 1.781 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.504 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 29.4 m80 -77.51 56.16 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.388 1.055 . . . . 0.0 109.574 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -90.28 -36.0 14.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.598 1.186 . . . . 0.0 110.335 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.34 -29.62 16.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.01 -13.94 60.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 0.733 . . . . 0.0 109.318 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 81.93 83.02 0.83 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 7' ' ' MET . 9.9 ttt -141.51 77.15 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 111.061 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.46 HG11 ' CB ' ' A' ' 81' ' ' TYR . 4.6 m -130.14 147.4 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.473 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -138.31 -171.64 12.25 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.546 1.154 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.4 m -147.0 160.21 42.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 110.411 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.469 ' CD1' HG12 ' A' ' 29' ' ' VAL . 94.9 mt -144.56 125.55 8.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.391 1.057 . . . . 0.0 109.266 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ILE . 64.0 m -106.89 143.84 34.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.375 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 3.8 t -127.73 75.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.241 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ILE . 1.9 mt-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.612 1.195 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p 49.04 90.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.949 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.469 HG23 ' CD1' ' A' ' 21' ' ' LEU . 16.1 m -116.05 171.09 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.427 ' CB ' ' HB3' ' A' ' 30' ' ' GLU . 6.3 pt20 -136.69 164.53 28.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' GLU . 8.2 mm -123.81 117.81 52.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.585 1.178 . . . . 0.0 109.284 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.474 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 3.2 mtmt -99.16 133.83 42.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.422 ' HG2' ' CE ' ' A' ' 90' ' ' MET . 7.6 mtm -105.07 99.95 9.56 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.5 145.63 9.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.46 HG23 ' CD1' ' A' ' 15' ' ' LEU . 2.3 p -108.69 160.74 15.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 0.775 . . . . 0.0 110.35 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -60.15 -15.72 26.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' ALA . 6.3 ttmt -90.74 39.79 1.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.179 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 38.11 29.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.448 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . . . -104.29 116.98 60.41 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.469 ' CA ' HG12 ' A' ' 36' ' ' VAL . 18.3 Cg_endo -75.01 95.06 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.418 1.746 . . . . 0.0 111.053 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.46 ' CD1' HG23 ' A' ' 9' ' ' THR . 1.8 pp -149.22 152.27 35.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.414 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 2.5 m-85 -78.09 128.28 33.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 14.4 tt0 -132.15 134.25 24.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.02 142.06 73.62 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.95 0.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -39.94 7.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.71 141.33 48.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.469 ' CD1' HG23 ' A' ' 3' ' ' VAL . 13.9 tp -142.99 139.22 30.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.366 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.2 t -130.2 143.06 50.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 97' ' ' GLU . 20.2 pt -151.87 -175.15 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.604 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 47.2 t -117.51 -176.38 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.02 102.66 10.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.32 -5.72 8.75 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -77.85 174.02 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 m -121.88 160.14 25.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.408 HG12 ' CD2' ' A' ' 21' ' ' LEU . 89.9 t -136.68 104.31 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -79.41 167.99 20.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.108 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -148.8 125.0 10.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.474 ' CG1' ' CG ' ' A' ' 6' ' ' LYS . 4.8 p -135.46 151.91 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.556 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 21.9 mtp -97.04 118.39 33.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.455 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.1 m120 -75.82 -66.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -169.03 -166.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 35' ' ' LYS . 11.4 p 46.68 52.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.595 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -88.75 -170.15 45.23 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.452 1.095 . . . . 0.0 111.047 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.55 9.55 Favored 'Cis proline' 0 C--N 1.359 1.106 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.029 -0.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.595 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 84.7 m-70 -145.33 -169.71 3.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.544 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.554 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 2.7 p30 169.61 169.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.4 t -110.03 113.82 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.231 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.7 mm -134.4 70.52 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.447 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 82.0 m-85 -39.1 159.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 2.3 t70 -93.09 -49.96 5.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 5.8 mttt 167.58 149.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.569 HG13 ' CD2' ' A' ' 78' ' ' TYR . 27.8 m -130.17 159.01 72.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -74.92 161.53 38.8 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.591 1.837 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' PRO . . . -38.91 134.48 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 138.86 -58.55 0.61 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.552 1.157 . . . . 0.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.31 -170.99 1.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 0.763 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 m -128.6 78.33 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.527 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -50.19 -50.9 67.28 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.417 1.073 . . . . 0.0 109.274 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -75.1 51.2 2.76 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.41 -45.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.078 . . . . 0.0 109.349 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.0 mt -67.87 -33.08 74.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.19 112.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -108.47 129.49 55.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.5 t -91.08 30.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -86.56 54.52 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.525 ' CD1' ' CD1' ' A' ' 62' ' ' ILE . 1.8 pp -41.52 119.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . . . -89.69 109.71 20.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.525 ' CD1' ' CD1' ' A' ' 60' ' ' LEU . 25.8 mm -71.89 -50.51 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.68 147.08 94.32 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.252 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.54 21.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.46 -172.66 41.78 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.473 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 57.5 p -94.16 104.73 16.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 0.749 . . . . 0.0 110.06 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 40' ' ' ASN . 1.8 m-85 -37.14 -73.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.3 p90 173.42 173.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 111.041 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.95 156.2 22.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 110.041 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 m -151.67 138.01 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.541 1.15 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.3 m -90.56 155.05 19.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.6 mt -132.8 163.27 29.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.02 -49.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.67 121.12 11.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.395 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.97 27.25 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.477 1.777 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.09 -179.22 19.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.2 t -99.94 123.25 43.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 0.746 . . . . 0.0 110.392 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.569 ' CD2' HG13 ' A' ' 46' ' ' VAL . 7.9 m-85 -100.17 134.38 43.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 m -120.39 140.02 51.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.493 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 3.1 p90 -141.34 -171.07 3.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -172.24 168.55 5.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.96 114.13 25.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 108.306 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.509 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -43.47 -51.18 15.73 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.92 -61.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.452 1.764 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -77.77 71.12 4.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.612 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -99.7 -39.62 8.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.67 -21.82 38.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.13 -9.91 50.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.434 0.726 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.65 65.75 1.94 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.474 1.109 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.422 ' CE ' ' HG2' ' A' ' 7' ' ' MET . 8.4 ttt -127.24 77.26 1.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 0.733 . . . . 0.0 111.046 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.8 m -128.44 156.31 40.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.148 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.412 ' C ' ' CE1' ' A' ' 80' ' ' PHE . . . -146.52 -168.63 13.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.441 1.088 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -146.82 161.5 40.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 0.733 . . . . 0.0 110.387 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 58.6 mt -150.41 115.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.546 1.154 . . . . 0.0 109.38 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' ILE . 97.5 m -102.92 147.51 26.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.407 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 6.0 t -127.63 72.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.604 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 58.55 111.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.092 . . . . 0.0 109.98 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.469 ' CG1' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -115.86 174.02 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -144.0 153.61 42.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.531 HG23 ' CE2' ' A' ' 31' ' ' PHE . 5.6 mm -119.04 113.92 43.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.497 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 27.5 mttt -94.61 130.09 41.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.46 ' CE ' ' HB3' ' A' ' 31' ' ' PHE . 6.5 mtm -100.22 101.52 12.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.15 146.13 8.86 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.7 p -109.95 159.04 17.61 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 0.73 . . . . 0.0 110.421 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -58.49 -16.99 17.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.18 40.65 1.01 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 38.35 29.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.056 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -101.71 115.47 64.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.485 ' HB2' ' CD2' ' A' ' 85' ' ' HIS . 18.4 Cg_endo -75.03 85.8 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.551 1.816 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 89' ' ' GLY . 0.8 OUTLIER -137.49 171.07 15.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.411 1.069 . . . . 0.0 109.281 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.42 ' N ' ' HG3' ' A' ' 90' ' ' MET . 1.3 m-85 -94.66 128.86 41.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 24.6 tt0 -136.18 127.56 17.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.223 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.92 158.36 99.02 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.027 -0.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -61.92 -39.59 92.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.71 145.65 48.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.469 HD12 ' CG1' ' A' ' 3' ' ' VAL . 11.5 tp -141.74 140.85 33.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.421 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 9.8 t -129.39 143.13 50.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.465 HG23 ' CG2' ' A' ' 3' ' ' VAL . 15.2 pt -153.16 -175.15 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.973 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 16.0 m -119.92 161.56 20.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 109.968 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.61 106.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.367 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.0 -8.24 8.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.425 ' CB ' ' HB ' ' A' ' 23' ' ' ILE . 6.6 m-20 -80.12 175.22 10.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.9 m -128.72 157.65 40.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.476 HG13 ' CE1' ' A' ' 31' ' ' PHE . 61.9 t -136.45 109.6 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 5' ' ' ILE . 3.0 tm-20 -86.76 169.9 12.21 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 1.11 . . . . 0.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.531 ' CE2' HG23 ' A' ' 5' ' ' ILE . 38.2 m-85 -147.57 120.77 8.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.497 ' CG1' ' CG ' ' A' ' 6' ' ' LYS . 10.0 p -124.28 156.11 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.429 ' CG ' ' CD2' ' A' ' 39' ' ' HIS . 1.9 ttp -96.4 124.5 40.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.491 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.3 m120 -86.27 -62.0 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' N ' ' HE2' ' A' ' 33' ' ' MET . 0.0 OUTLIER -169.16 -171.58 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.593 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 2.6 t 47.19 61.38 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.58 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -99.4 -173.25 31.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.593 1.183 . . . . 0.0 111.032 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -169.19 7.13 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.018 -0.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.58 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 75.8 m-70 -143.99 -169.93 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.63 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.9 OUTLIER 179.37 163.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 26.5 t -108.84 84.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.481 HG23 ' CE1' ' A' ' 81' ' ' TYR . 22.8 mt -108.8 91.24 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -56.67 163.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 7.0 t0 -93.63 -50.11 5.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 1.1 mttt 167.83 147.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.536 HG13 ' CD2' ' A' ' 78' ' ' TYR . 15.0 m -128.31 158.26 71.94 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 162.37 37.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.425 1.75 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.83 132.43 1.73 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.428 1.08 . . . . 0.0 109.333 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.447 ' HA3' ' CG2' ' A' ' 74' ' ' THR . . . 137.64 -67.43 0.53 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.63 -173.04 2.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.255 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.98 77.11 1.77 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.494 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -55.28 -52.79 68.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.92 51.02 2.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.55 1.816 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -157.9 -45.57 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.596 1.185 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.29 -31.05 69.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 m -44.09 129.36 6.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -127.8 86.07 2.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 60' ' ' LEU . 9.7 t -57.8 -16.43 11.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 95.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.2 OUTLIER -67.53 96.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.548 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . . . -83.5 102.61 12.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 64' ' ' PRO . 10.0 tp -72.87 -51.94 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -39.66 100.05 0.21 Allowed Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.08 131.68 14.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.2 -57.75 0.13 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.594 1.184 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' PHE . 17.8 p 173.36 91.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 61' ' ' ALA . 1.9 m-85 -37.63 -83.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -177.16 178.64 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.458 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 11.4 t -125.74 -179.47 4.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.458 ' CG1' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -168.83 141.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.2 m -100.32 145.23 28.39 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 110.37 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.6 mt -120.16 173.05 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.85 -44.54 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.125 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.447 ' CG2' ' HA3' ' A' ' 49' ' ' GLY . 14.3 m -61.02 129.99 90.89 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 0.0 110.443 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.35 31.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.553 1.817 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.14 -179.89 20.33 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.8 t -107.89 122.3 46.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.79 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.536 ' CD2' HG13 ' A' ' 46' ' ' VAL . 30.2 m-85 -97.84 132.5 43.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -114.98 143.55 44.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.566 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 13.2 p90 -144.03 -176.28 4.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.386 1.054 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.481 ' CE1' HG23 ' A' ' 42' ' ' ILE . 14.9 p90 -172.91 152.75 2.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -83.99 140.88 31.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 108.324 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.594 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 1.2 m -77.9 -45.8 2.34 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.377 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -74.98 -38.45 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.593 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 31.5 m80 -105.67 45.25 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.632 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -79.08 -36.6 40.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.25 -24.03 25.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.18 -11.23 58.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.489 ' O ' ' CD1' ' A' ' 15' ' ' LEU . . . 82.53 71.25 1.31 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.423 ' CG ' ' HA ' ' A' ' 15' ' ' LEU . 14.4 ttt -134.76 84.6 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.753 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.01 156.04 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.566 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -147.14 -171.51 16.4 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.445 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -152.28 156.73 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 0.717 . . . . 0.0 110.351 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 14.6 mt -138.8 134.88 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' ILE . 5.7 m -116.19 140.27 49.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 4.2 t -124.8 74.83 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.973 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.9 p -58.84 125.27 22.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.462 HG21 ' CD1' ' A' ' 21' ' ' LEU . 35.5 m -111.81 167.24 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -131.78 147.28 52.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.57 ' HB ' ' CD1' ' A' ' 31' ' ' PHE . 14.3 mm -115.31 107.53 23.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.516 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 10.2 mttp -84.97 137.58 33.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 3.8 mpp? -99.98 110.31 22.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 101.35 162.39 27.31 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.406 ' OG1' ' CB ' ' A' ' 13' ' ' ALA . 2.8 p -124.69 156.67 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.424 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -61.14 -15.04 29.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.22 41.37 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 38.88 30.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.45 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . . . -102.24 107.59 53.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.406 ' C ' ' SD ' ' A' ' 90' ' ' MET . 18.5 Cg_endo -75.06 78.08 3.0 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.465 ' HA ' ' CG ' ' A' ' 90' ' ' MET . 2.2 pp -141.25 160.91 39.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.425 ' N ' ' HG3' ' A' ' 90' ' ' MET . 5.7 m-85 -77.09 139.85 40.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 22.6 tt0 -142.98 134.15 12.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.234 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.03 141.5 71.91 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 121.011 -2.496 . . . . 0.0 110.931 -0.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' PRO . 1.1 mttt -39.0 -36.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.34 150.41 49.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.462 ' CD1' HG21 ' A' ' 3' ' ' VAL . 12.7 tp -147.47 145.3 29.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.475 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 7.9 t -130.55 144.87 51.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.475 ' CG2' ' O ' ' A' ' 22' ' ' SER . 15.5 pt -155.42 -175.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.665 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 7.8 m -123.64 164.4 19.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.047 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.19 106.04 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.31 -8.38 8.45 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -80.02 174.01 12.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.3 m -122.68 150.61 42.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.405 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.459 ' CG1' HD13 ' A' ' 94' ' ' ILE . 75.3 t -129.68 92.28 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -71.75 168.19 18.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.319 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.57 ' CD1' ' HB ' ' A' ' 5' ' ' ILE . 66.5 m-85 -146.41 125.77 13.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.516 ' CG1' ' CG ' ' A' ' 6' ' ' LYS . 8.0 p -137.06 148.43 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.393 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.489 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 7.9 mtp -78.09 113.92 16.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -73.54 -67.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 36' ' ' VAL . 7.4 tttt -175.48 146.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.498 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 2.8 t 85.4 69.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.44 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -99.13 -171.26 31.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 174.71 51.29 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.91 0.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.489 ' CD2' ' HG2' ' A' ' 33' ' ' MET . 93.7 m-70 -131.09 -171.14 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.628 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.432 ' ND2' HG12 ' A' ' 42' ' ' ILE . 27.6 p-10 -176.9 -166.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.4 t -143.05 89.82 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.397 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.554 HG23 ' CE1' ' A' ' 81' ' ' TYR . 18.2 mm -120.95 97.67 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -64.64 160.48 19.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.451 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -89.67 -48.64 7.14 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER 166.87 145.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.574 HG13 ' CD2' ' A' ' 78' ' ' TYR . 21.0 m -127.72 158.27 70.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -75.04 161.08 39.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.556 1.819 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' PRO . . . -39.88 136.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.464 ' HA3' ' CG2' ' A' ' 74' ' ' THR . . . 134.94 -54.58 0.75 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.465 ' OE2' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -109.86 -172.87 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 110.313 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.2 m -128.78 77.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.488 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -55.48 -52.95 67.53 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -74.99 50.94 2.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.453 1.765 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -159.46 -45.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.465 ' CD1' ' OE2' ' A' ' 50' ' ' GLU . 9.7 mt -68.01 -27.15 66.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.447 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 1.8 m -48.72 111.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.026 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -106.56 120.48 42.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 t -90.33 23.7 2.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.44 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -85.5 57.88 4.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.2 119.57 5.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.491 ' HB2' ' CE1' ' A' ' 67' ' ' PHE . . . -85.24 120.33 26.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.6 mm -69.47 -46.13 76.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.99 152.63 59.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 132.44 15.5 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.433 1.754 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 178.6 166.86 35.44 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.458 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 34.7 t -76.02 96.33 3.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 0.721 . . . . 0.0 110.074 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.491 ' CE1' ' HB2' ' A' ' 61' ' ' ALA . 6.0 m-85 -37.57 -86.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -167.94 174.27 7.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.52 150.69 43.66 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.525 1.14 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.0 m -145.67 136.4 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.7 m -92.34 128.25 38.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.096 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.543 ' N ' ' CD2' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -102.57 173.68 6.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.57 -51.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.464 ' CG2' ' HA3' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -46.74 124.96 8.01 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 0.0 110.385 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 74' ' ' THR . 18.2 Cg_endo -75.02 141.4 26.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.54 1.811 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.79 -179.24 19.43 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.1 t -103.68 121.54 43.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 0.741 . . . . 0.0 110.451 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.574 ' CD2' HG13 ' A' ' 46' ' ' VAL . 6.9 m-85 -97.7 135.1 39.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p -114.17 148.44 37.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.177 . . . . 0.0 110.002 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.489 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 1.9 p90 -153.03 174.74 13.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.969 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.554 ' CE1' HG23 ' A' ' 42' ' ' ILE . 16.3 p90 -164.01 157.43 18.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.392 1.058 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.25 131.13 35.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.593 1.183 . . . . 0.0 108.271 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.52 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -62.78 -50.58 76.97 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.5 Cg_endo -74.87 -49.01 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.5 1.789 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.492 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 29.8 m80 -88.05 44.48 1.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.639 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -81.63 -38.97 25.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.4 -30.47 16.17 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.26 -14.75 61.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 0.789 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 85.67 86.83 0.98 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.465 ' CG ' ' HA ' ' A' ' 15' ' ' LEU . 8.0 ttt -148.42 78.42 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 0.717 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.8 m -124.25 146.76 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.489 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -138.96 175.04 21.8 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.486 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 1.2 m -138.58 158.68 43.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 110.431 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.459 HD13 ' CG1' ' A' ' 29' ' ' VAL . 94.1 mt -146.13 128.0 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' ILE . 92.7 m -108.78 145.67 34.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.391 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 3.1 t -128.82 77.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.665 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p 171.71 109.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 109.998 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.473 HG23 ' CD1' ' A' ' 21' ' ' LEU . 2.6 m -115.18 177.35 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -144.86 158.58 43.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -133.45 125.53 50.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 0.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.401 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 16.0 mttp -97.46 122.42 40.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.588 1.18 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.639 ' CE ' ' CE1' ' A' ' 16' ' ' TYR . 8.1 mtp -87.9 100.39 12.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.45 148.29 9.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.422 ' CG2' HD13 ' A' ' 15' ' ' LEU . 1.7 p -113.21 161.53 17.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 0.0 110.365 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.11 -13.19 33.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.45 ' HG3' ' CB ' ' A' ' 13' ' ' ALA . 4.9 ptpt -90.66 38.37 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 37.86 33.39 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.45 ' CB ' ' HG3' ' A' ' 11' ' ' LYS . . . -112.09 118.06 46.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.417 ' CA ' HG12 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -75.02 97.8 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.422 HD13 ' CG2' ' A' ' 9' ' ' THR . 1.3 pp -149.29 151.89 34.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.639 ' CE1' ' CE ' ' A' ' 7' ' ' MET . 27.7 m-85 -77.24 132.59 38.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.482 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 6.6 tt0 -132.83 131.18 21.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -75.01 158.47 98.97 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.035 0.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -39.62 62.32 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.71 147.56 48.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.473 ' CD1' HG23 ' A' ' 3' ' ' VAL . 8.4 tp -142.01 141.05 32.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.225 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.44 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 9.7 t -129.93 143.21 50.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.471 HG23 ' CG2' ' A' ' 3' ' ' VAL . 11.6 pt -153.7 -174.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.379 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 p -122.9 171.18 9.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.579 1.174 . . . . 0.0 110.038 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.37 101.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.73 -4.13 7.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.467 ' CB ' ' HB ' ' A' ' 23' ' ' ILE . 9.8 m-20 -82.73 175.83 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 0.729 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.4 ' OG1' ' OG1' ' A' ' 71' ' ' THR . 27.4 m -129.86 157.01 43.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.373 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.41 HG12 ' CD1' ' A' ' 94' ' ' ILE . 48.1 t -134.98 107.67 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -89.02 148.25 23.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 0.0 110.254 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.411 ' N ' ' OE2' ' A' ' 30' ' ' GLU . 61.6 m-85 -126.36 122.4 35.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.485 ' CG2' ' OG ' ' A' ' 66' ' ' SER . 2.2 p -128.08 139.2 52.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.363 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 45.7 mtp -86.49 113.44 22.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.34 -67.59 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.506 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -166.93 -164.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 35' ' ' LYS . 7.9 p 46.41 58.86 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.577 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -92.69 -171.64 40.78 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -171.2 9.06 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.94 0.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.577 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 90.1 m-70 -145.48 -171.34 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.635 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 38.1 p-10 179.77 -154.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 57' ' ' ASN . 90.0 t -152.93 98.51 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.44 HG12 ' ND2' ' A' ' 40' ' ' ASN . 18.3 mm -120.03 77.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.464 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 96.7 m-85 -45.38 155.92 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 7.1 t0 -87.64 -54.23 4.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 3.2 mttp 169.32 147.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.062 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.571 HG23 ' CD2' ' A' ' 78' ' ' TYR . 0.4 OUTLIER -128.07 163.09 46.08 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -74.99 160.54 40.05 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.585 1.834 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -43.02 133.71 3.66 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.72 -49.68 0.88 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.403 ' N ' HG23 ' A' ' 74' ' ' THR . 0.5 OUTLIER -117.79 -172.0 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 110.278 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.408 ' HB3' ' CB ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -133.98 79.96 1.84 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.497 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -54.73 -52.62 68.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.248 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.03 51.17 2.73 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 110.995 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.408 ' CB ' ' HB3' ' A' ' 51' ' ' SER . . . -157.65 -45.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.09 -17.17 64.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.241 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.416 ' CA ' ' O ' ' A' ' 41' ' ' VAL . 2.0 p -53.59 148.13 10.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.973 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -115.53 112.39 22.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.2 t -90.3 23.63 2.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.407 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -108.82 74.59 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.75 113.85 1.01 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.569 ' HB2' ' CE1' ' A' ' 67' ' ' PHE . . . -79.74 110.69 15.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 40.4 mm -74.23 -50.41 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . . . -74.07 140.31 76.87 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 63' ' ' ALA . 18.1 Cg_endo -74.99 147.9 34.59 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.34 -110.37 0.34 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.485 ' OG ' ' CG2' ' A' ' 32' ' ' VAL . 2.5 m -168.3 106.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 0.741 . . . . 0.0 109.997 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' A' ' 40' ' ' ASN . 24.0 m-85 -39.88 -87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.625 1.203 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.45 ' CE2' ' ND2' ' A' ' 57' ' ' ASN . 11.3 p90 -178.4 -178.08 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.45 159.21 21.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -150.19 143.43 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.4 ' OG1' ' OG1' ' A' ' 28' ' ' THR . 2.2 m -98.99 141.7 31.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.8 mt -113.87 171.43 7.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -152.93 -50.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 50' ' ' GLU . 1.2 m -50.96 126.56 25.48 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.45 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 141.38 26.65 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.07 -178.51 20.14 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 52.5 m -104.02 118.73 37.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.785 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.571 ' CD2' HG23 ' A' ' 46' ' ' VAL . 7.1 m-85 -91.82 134.18 34.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p -119.32 147.3 44.46 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.464 ' CB ' ' HA ' ' A' ' 43' ' ' PHE . 12.2 p90 -154.66 -170.78 3.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -178.82 169.57 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.56 151.27 21.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 108.274 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.45 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -76.56 -54.88 1.71 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.382 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.45 ' HD3' ' CB ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.04 -46.35 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.575 1.829 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.44 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 21.2 m80 -86.47 48.04 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.564 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -84.77 -23.71 29.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -102.42 -22.93 9.28 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.73 -12.31 58.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.17 53.9 3.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.444 ' CE ' ' HE2' ' A' ' 7' ' ' MET . 8.1 ttt -111.74 75.42 0.92 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.578 0.81 . . . . 0.0 111.075 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.4 m -122.43 147.67 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.456 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -142.24 -175.64 15.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.431 ' N ' ' CE1' ' A' ' 80' ' ' PHE . 1.6 m -149.95 160.91 43.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 110.351 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.41 ' CD1' HG12 ' A' ' 29' ' ' VAL . 81.7 mt -147.88 117.86 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 23' ' ' ILE . 18.6 m -101.49 146.01 28.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 3.9 t -127.35 74.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.783 ' OXT' ' HG3' ' A' ' 97' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 m -177.82 111.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -109.32 175.77 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.409 1.068 . . . . 0.0 109.249 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -141.65 159.33 42.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.331 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.525 ' HB ' ' CD2' ' A' ' 31' ' ' PHE . 9.2 mm -126.09 112.65 30.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.381 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.486 ' HG2' ' CG1' ' A' ' 32' ' ' VAL . 4.0 mtmt -91.13 136.42 33.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.496 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 9.5 mtm -105.38 98.2 7.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.432 1.083 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.05 149.61 8.39 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.547 1.154 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.48 ' O ' ' CE ' ' A' ' 35' ' ' LYS . 6.7 p -115.4 152.07 33.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -58.67 -16.56 16.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -90.09 40.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' LYS . 76.6 m-85 37.7 51.89 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.587 1.18 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.459 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . . . -130.94 116.92 17.04 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.482 ' CA ' HG12 ' A' ' 36' ' ' VAL . 18.1 Cg_endo -75.06 91.47 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.53 1.805 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.466 HD13 ' CG2' ' A' ' 9' ' ' THR . 2.7 pp -146.06 153.95 41.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.496 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 17.0 m-85 -80.13 125.27 29.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 43.8 tt0 -129.88 130.46 23.16 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.04 152.0 97.59 Favored 'Cis proline' 0 C--N 1.361 1.212 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.023 0.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -61.12 -36.81 80.74 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.429 1.081 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 19' ' ' LYS . . . -117.67 140.73 49.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 3' ' ' VAL . 12.7 tp -145.39 143.03 29.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.6 t -130.65 142.94 50.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.012 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.469 HG23 ' CG2' ' A' ' 3' ' ' VAL . 30.6 pt -151.82 -175.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.9 m -121.63 165.42 15.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.44 106.18 0.88 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.13 -8.56 8.52 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.436 1.085 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.47 173.7 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.1 m -126.85 158.8 35.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.421 ' CG1' HD13 ' A' ' 94' ' ' ILE . 71.6 t -136.21 112.17 12.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 5' ' ' ILE . 39.7 tt0 -88.32 167.96 13.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.525 ' CD2' ' HB ' ' A' ' 5' ' ' ILE . 80.1 m-85 -146.21 121.05 9.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 111.059 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.486 ' CG1' ' HG2' ' A' ' 6' ' ' LYS . 9.7 p -124.25 151.29 29.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.1 ttp -95.96 116.02 28.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.441 ' C ' ' HG3' ' A' ' 35' ' ' LYS . 1.7 m120 -74.82 -70.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.557 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -167.49 -167.05 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.557 ' CG1' ' O ' ' A' ' 35' ' ' LYS . 7.6 p 50.43 41.05 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.621 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -80.02 -171.11 42.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -166.76 5.13 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.997 0.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.621 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 82.5 m-70 -148.18 -170.58 3.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.664 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.42 ' ND2' HD12 ' A' ' 42' ' ' ILE . 10.1 p-10 -171.5 -178.63 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.6 t -132.69 88.73 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.515 HG23 ' CZ ' ' A' ' 81' ' ' TYR . 70.0 mt -120.09 103.26 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.422 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 97.5 m-85 -68.94 157.59 36.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -85.45 -49.5 8.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.229 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER 167.25 149.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.645 ' CG1' ' CD2' ' A' ' 78' ' ' TYR . 28.4 m -128.71 158.66 71.47 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -75.05 163.35 35.39 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.53 1.805 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 47' ' ' PRO . . . -39.41 133.7 1.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 74' ' ' THR . . . 137.59 -65.61 0.55 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.456 1.098 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.04 -172.37 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.774 . . . . 0.0 110.289 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.0 m -129.65 77.66 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.569 1.168 . . . . 0.0 110.005 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.511 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -50.71 -51.87 61.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -74.99 50.76 2.61 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.18 -45.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.0 mt -69.34 -30.77 68.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 m -44.11 167.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.377 1.048 . . . . 0.0 109.966 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -169.8 110.63 0.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.133 . . . . 0.0 109.353 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 t -89.31 38.93 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.17 . . . . 0.0 110.402 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -98.63 72.02 1.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.39 108.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.33 107.31 19.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ALA . 7.4 tp -69.42 -47.58 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -39.9 100.23 0.21 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 62' ' ' ILE . 18.3 Cg_endo -74.93 132.03 15.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.441 1.759 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.439 ' O ' ' CG2' ' A' ' 32' ' ' VAL . . . 172.9 -79.46 0.08 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.113 . . . . 0.0 111.046 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 65' ' ' GLY . 5.1 m -168.43 97.03 0.41 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.581 0.812 . . . . 0.0 109.991 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -43.43 -85.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -175.91 177.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.498 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 11.4 t -123.68 -179.4 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 69' ' ' SER . 2.7 m -163.25 139.31 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.2 m -96.55 118.74 33.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.519 ' N ' ' CD2' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -98.92 173.53 6.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.454 ' O ' ' CG1' ' A' ' 96' ' ' VAL . . . -155.07 -59.93 0.01 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.466 ' CG2' ' HA3' ' A' ' 49' ' ' GLY . 1.2 m -38.85 131.56 1.13 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.596 0.821 . . . . 0.0 110.48 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 147.09 33.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 135.18 -178.77 18.31 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.576 1.173 . . . . 0.0 110.964 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.1 m -107.93 119.21 38.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 110.392 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.645 ' CD2' ' CG1' ' A' ' 46' ' ' VAL . 6.9 m-85 -93.99 133.6 37.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 p -116.73 148.64 40.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.564 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 6.7 p90 -151.27 -174.9 4.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.515 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 17.3 p90 -170.82 164.68 7.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.23 150.82 23.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.228 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.487 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.6 OUTLIER -79.12 -52.46 1.19 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.0 Cg_endo -75.04 -46.91 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.44 ' CG ' ' HB2' ' A' ' 14' ' ' PRO . 23.3 m80 -89.51 49.16 1.7 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.557 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -83.33 -31.1 27.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.367 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.77 -21.53 18.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.13 -13.4 61.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 0.728 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.91 60.23 1.98 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.552 1.158 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.436 ' CG ' ' HA ' ' A' ' 15' ' ' LEU . 8.7 ttt -119.18 81.42 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.776 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -112.2 176.84 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.564 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -170.23 176.9 43.76 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.463 ' N ' ' CE1' ' A' ' 80' ' ' PHE . 1.7 m -153.15 162.03 41.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.421 HD13 ' CG1' ' A' ' 29' ' ' VAL . 56.1 mt -151.65 122.64 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' ILE . 95.7 m -104.22 146.6 28.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.387 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 4.1 t -126.71 74.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 23' ' ' ILE . 1.9 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.234 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m 65.29 78.65 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.465 HG21 ' CD1' ' A' ' 21' ' ' LEU . 32.0 m -110.18 176.78 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -146.47 158.42 43.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' GLU . 11.7 mm -123.42 111.65 30.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.502 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 7.0 mttp -89.14 142.36 27.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.5 mtm -110.28 100.13 9.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.07 154.74 11.2 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.409 ' CG2' HD13 ' A' ' 15' ' ' LEU . 2.0 p -117.88 156.54 28.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -58.28 -17.03 16.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.605 1.19 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 13' ' ' ALA . 9.2 mttt -90.12 41.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 38.25 30.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -101.58 112.49 65.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.438 ' C ' ' SD ' ' A' ' 90' ' ' MET . 18.3 Cg_endo -75.0 82.87 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.423 1.749 . . . . 0.0 111.058 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.415 ' CD2' ' HB3' ' A' ' 13' ' ' ALA . 3.7 pp -141.05 156.63 45.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.51 ' CD2' ' HG2' ' A' ' 90' ' ' MET . 9.4 m-85 -78.31 137.92 38.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.486 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 8.9 tt0 -142.34 131.37 11.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.94 150.48 95.52 Favored 'Cis proline' 0 C--N 1.361 1.207 0 C-N-CA 121.032 -2.487 . . . . 0.0 110.996 -0.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -47.45 -40.07 17.23 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.573 1.171 . . . . 0.0 109.278 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.38 152.04 46.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.465 ' CD1' HG21 ' A' ' 3' ' ' VAL . 8.7 tp -144.69 143.54 30.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.4 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 10.1 t -128.06 142.92 51.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' THR . 20.5 pt -152.84 -175.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.549 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 13.7 m -118.71 173.34 6.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 110.081 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.25 104.09 3.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.91 -5.2 9.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -81.93 173.11 12.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.4 m -123.09 158.24 31.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.445 1.091 . . . . 0.0 110.436 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.508 ' CG1' ' CD1' ' A' ' 94' ' ' ILE . 73.8 t -134.22 104.54 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 5' ' ' ILE . 3.3 tt0 -79.89 167.45 20.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.409 ' CE1' HG13 ' A' ' 29' ' ' VAL . 60.9 m-85 -147.51 127.97 14.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.502 ' CG1' ' CG ' ' A' ' 6' ' ' LYS . 7.4 p -134.43 154.32 37.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 61' ' ' ALA . 16.9 mtp -98.96 110.32 22.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -69.36 -68.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' O ' ' NE2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -166.56 -167.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.087 . . . . 0.0 109.342 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.594 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 1.9 t 49.22 50.3 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.573 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -99.09 -167.57 30.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.158 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.447 ' HG3' ' CD1' ' A' ' 62' ' ' ILE . 18.3 Cg_endo -74.98 178.92 32.53 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.961 -2.516 . . . . 0.0 111.023 -0.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 33.7 m-70 -134.26 -171.05 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 2.1 p30 -175.56 166.55 3.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.437 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 92.6 t -109.46 108.55 25.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.572 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 4.5 mm -129.47 76.26 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CE1' ' CG1' ' A' ' 41' ' ' VAL . 75.7 m-85 -48.68 168.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.45 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 8.6 t0 -104.79 -50.15 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER 167.94 142.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.589 ' CG1' ' CD2' ' A' ' 78' ' ' TYR . 5.3 m -127.71 154.71 77.87 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 169.42 22.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 74.02 -177.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.275 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.07 42.08 3.13 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.049 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.09 -172.83 2.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.257 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.83 74.44 1.28 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.03 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.492 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -77.17 -52.72 1.8 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -74.98 0.43 8.9 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.545 1.813 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.7 -35.93 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.2 mt -67.79 -39.95 83.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.12 126.5 14.7 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -127.83 130.46 48.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 t -89.5 20.16 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -88.31 65.14 7.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 39' ' ' HIS . 0.2 OUTLIER -54.93 131.38 44.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.408 ' HB2' ' CE1' ' A' ' 67' ' ' PHE . . . -91.32 123.54 34.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.447 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 5.8 mm -84.81 -45.39 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.4 142.93 63.35 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 176.28 10.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.432 1.754 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 138.26 -85.94 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.539 1.15 . . . . 0.0 111.015 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 67' ' ' PHE . 22.3 p 178.4 106.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 0.757 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.408 ' CE1' ' HB2' ' A' ' 61' ' ' ALA . 1.0 OUTLIER -37.32 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.7 p90 177.68 173.95 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.424 ' CB ' ' HG3' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -116.37 155.46 28.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.056 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -148.3 138.89 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 76.2 m -104.74 150.56 24.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.4 mt -117.28 170.95 8.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -156.63 34.35 0.58 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 47.0 m -151.38 135.52 9.68 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.642 0.848 . . . . 0.0 110.377 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 74' ' ' THR . 18.6 Cg_endo -74.94 151.43 39.85 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.426 1.751 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.63 -179.77 18.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.8 t -109.08 126.91 53.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.609 0.829 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.589 ' CD2' ' CG1' ' A' ' 46' ' ' VAL . 6.7 m-85 -106.92 131.05 54.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.9 t -110.8 163.44 13.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.576 ' CZ ' ' N ' ' A' ' 93' ' ' THR . 5.5 p90 -171.51 175.83 3.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.572 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 9.1 p90 -154.59 -173.18 4.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.526 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 9.9 t -133.47 96.13 3.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.462 1.101 . . . . 0.0 108.236 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.518 ' C ' ' O ' ' A' ' 82' ' ' CYS . 0.8 OUTLIER -28.99 -57.48 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.408 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.614 ' C ' ' CG ' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -74.93 131.98 15.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.068 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.614 ' CG ' ' C ' ' A' ' 84' ' ' PRO . 0.1 OUTLIER 80.3 -4.02 1.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.623 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 87' ' ' GLY . 17.7 ptt180 -41.31 -46.06 3.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.59 1.181 . . . . 0.0 110.313 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.427 ' N ' ' HG3' ' A' ' 86' ' ' ARG . . . -65.05 -36.81 93.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -63.15 -13.5 37.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.96 85.93 1.41 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.51 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 3.9 ttt -138.42 84.86 2.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 0.752 . . . . 0.0 111.092 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.5 m -120.74 159.82 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.233 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.474 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -156.24 172.6 34.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.614 1.196 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.576 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 2.5 m -153.72 163.47 39.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 0.734 . . . . 0.0 110.448 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.508 ' CD1' ' CG1' ' A' ' 29' ' ' VAL . 69.4 mt -148.63 129.44 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' ILE . 87.3 m -111.7 146.44 37.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 20.3 t -125.0 73.04 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.549 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 1.1 mm-40 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m -126.35 148.11 49.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 21' ' ' LEU . 26.3 m -109.7 177.59 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.27 157.97 43.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 30' ' ' GLU . 4.1 mm -120.79 116.94 51.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.496 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 2.4 mtmp? -96.17 139.12 32.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.566 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 18.6 mtm -112.85 111.69 22.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.38 142.33 13.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.462 HG23 ' CD1' ' A' ' 15' ' ' LEU . 1.4 p -101.78 156.12 17.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 110.338 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -54.52 -19.7 6.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -89.4 40.49 0.99 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 39.21 29.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.451 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . . . -100.06 120.73 56.06 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.473 ' CG ' HG13 ' A' ' 36' ' ' VAL . 18.1 Cg_endo -75.16 103.19 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.462 ' CD1' HG23 ' A' ' 9' ' ' THR . 2.2 pp -163.21 149.46 12.1 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.444 1.09 . . . . 0.0 109.204 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.566 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 19.2 m-85 -79.71 131.69 36.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 25.8 tt0 -125.24 126.02 25.18 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.413 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.91 176.09 44.9 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.076 -0.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -37.45 86.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.52 156.97 44.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' A' ' 3' ' ' VAL . 13.1 tp -146.9 147.17 30.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.42 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 8.3 t -131.2 144.03 51.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.07 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 95' ' ' THR . 23.8 pt -153.79 -174.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.7 m -121.03 162.62 19.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.02 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.407 ' N ' HG11 ' A' ' 96' ' ' VAL . . . -63.41 105.94 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.98 -8.31 8.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -81.47 172.11 13.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 m -121.02 156.54 31.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.469 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.435 ' CG1' HD13 ' A' ' 94' ' ' ILE . 77.4 t -136.79 110.99 9.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 5' ' ' ILE . 21.6 tt0 -85.5 167.42 15.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -143.39 118.01 9.8 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.496 ' CG1' ' CG ' ' A' ' 6' ' ' LYS . 5.2 p -122.79 148.3 26.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.416 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 5.5 mtp -98.53 118.73 35.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.46 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.5 m120 -78.61 -65.77 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.439 ' O ' ' NE2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -172.28 -168.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.525 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 4.4 t 64.17 22.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.474 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -80.68 -171.39 44.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.552 1.157 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HB3' ' CB ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.06 166.34 83.52 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.968 0.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.525 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 58.8 m-70 -130.26 -147.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.56 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.41 ' ND2' ' HB ' ' A' ' 83' ' ' THR . 7.5 p-10 172.52 -175.05 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 t -130.46 96.46 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.575 HG23 ' CE1' ' A' ' 81' ' ' TYR . 1.4 mm -121.07 90.49 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -54.14 161.06 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -97.51 -51.96 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 109.375 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.7 mttt 171.88 155.93 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.075 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.568 HG23 ' CD2' ' A' ' 78' ' ' TYR . 0.5 OUTLIER -134.44 163.67 49.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.93 160.01 40.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -41.04 118.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.467 ' HA3' ' CG2' ' A' ' 74' ' ' THR . . . 153.5 -76.83 0.22 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.14 -172.65 3.9 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 0.782 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.8 p -127.13 75.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.517 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -49.65 -51.49 59.12 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.01 50.74 2.61 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.582 1.833 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.46 -45.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.226 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.0 mt -66.61 -28.5 68.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.7 m -43.15 146.96 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -138.75 110.34 7.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.3 t -90.23 35.06 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.09 64.3 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.66 116.7 1.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.235 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.42 115.2 23.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.467 ' CB ' ' HB3' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -76.95 -41.11 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -44.72 109.01 0.81 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 130.07 12.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.23 38.96 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.471 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 34.1 t 61.31 94.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 0.801 . . . . 0.0 109.982 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.416 ' CD2' ' HG3' ' A' ' 33' ' ' MET . 0.4 OUTLIER -37.54 -79.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.1 p90 179.71 177.9 0.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 111.036 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.503 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 12.6 t -126.87 179.81 5.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -171.93 139.13 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.27 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 79.6 m -95.76 152.01 18.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.0 mt -120.1 170.98 8.8 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -158.65 37.95 0.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.153 . . . . 0.0 111.001 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.467 ' CG2' ' HA3' ' A' ' 49' ' ' GLY . 16.1 m -149.14 135.9 10.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.749 . . . . 0.0 110.383 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 74' ' ' THR . 18.2 Cg_endo -74.99 147.21 33.64 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.393 1.733 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.66 -178.95 19.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.469 ' CG2' HG21 ' A' ' 93' ' ' THR . 39.2 m -113.43 116.25 29.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 110.439 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.568 ' CD2' HG23 ' A' ' 46' ' ' VAL . 63.7 m-85 -90.06 127.67 36.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.23 139.7 49.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -143.04 173.23 11.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.575 ' CE1' HG23 ' A' ' 42' ' ' ILE . 6.1 p90 -159.71 166.33 30.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.77 149.28 27.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.262 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.473 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -78.91 -53.08 1.18 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.48 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.0 Cg_endo -75.11 -39.72 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -93.57 35.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.624 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.569 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -72.24 -11.22 60.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -112.18 -28.19 3.67 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.8 69.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.94 58.66 0.87 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.544 1.152 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 14' ' ' PRO . 4.7 mtp -115.55 86.14 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 30.4 m -120.67 161.81 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.566 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -149.51 153.47 25.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.469 HG21 ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -126.99 154.18 44.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.358 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.435 HD13 ' CG1' ' A' ' 29' ' ' VAL . 78.8 mt -149.09 126.17 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 23' ' ' ILE . 90.2 m -105.93 144.66 32.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.351 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 6.0 t -127.32 72.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.245 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 p -49.75 168.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.059 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -115.27 174.1 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -146.29 145.31 30.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 mm -105.5 110.31 30.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.348 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.518 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 2.1 mtmt -85.75 141.17 29.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.411 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 1.8 mpp? -115.99 104.87 12.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 111.03 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 104.48 135.33 8.4 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -92.11 159.21 15.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 0.803 . . . . 0.0 110.458 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -62.84 -12.93 27.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -90.98 31.17 1.11 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 47.6 34.57 3.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.092 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.18 124.95 32.06 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.476 ' CG ' HG13 ' A' ' 36' ' ' VAL . 18.1 Cg_endo -74.97 105.8 2.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.422 1.748 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.27 170.11 21.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 7' ' ' MET . 9.2 m-85 -100.72 125.6 47.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 26.4 tt0 -122.56 125.72 26.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.232 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.411 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -74.96 174.35 53.12 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.983 -0.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -63.86 -37.49 87.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.15 151.38 51.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.467 ' CD1' HG23 ' A' ' 3' ' ' VAL . 13.1 tp -139.45 139.43 37.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.424 1.077 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.1 t -128.79 141.84 51.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 95' ' ' THR . 13.3 pt -152.22 -175.71 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.8 m -120.27 159.81 24.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.55 105.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.44 -8.02 8.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -82.24 173.08 12.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 0.791 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.6 m -122.61 153.91 38.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 110.352 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.8 t -134.3 105.52 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -80.21 170.08 16.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -144.74 114.12 7.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.518 ' CG1' ' CG ' ' A' ' 6' ' ' LYS . 9.4 p -118.02 146.2 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.082 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.1 ttp -97.31 119.51 35.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.5 m120 -78.57 -66.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.92 -168.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.518 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 3.8 t 65.42 21.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.511 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -75.18 -176.08 37.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.475 ' HG3' ' CD1' ' A' ' 62' ' ' ILE . 18.4 Cg_endo -74.88 171.68 66.75 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.066 -2.472 . . . . 0.0 111.03 -0.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.518 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 75.2 m-70 -136.66 -150.22 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.582 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -178.73 178.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.531 HG13 ' CE2' ' A' ' 43' ' ' PHE . 50.2 t -131.14 54.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.571 HG23 ' CE1' ' A' ' 81' ' ' TYR . 61.2 mt -82.52 93.87 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.531 ' CE2' HG13 ' A' ' 41' ' ' VAL . 91.3 m-85 -61.98 147.62 46.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.4 t70 -74.58 -55.67 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 52' ' ' ALA . 5.1 mttt 166.6 148.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.566 HG12 ' CD2' ' A' ' 78' ' ' TYR . 0.7 OUTLIER -121.25 173.06 4.21 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 159.02 42.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.538 1.81 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -42.03 131.4 3.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.47 ' HA3' ' CG2' ' A' ' 74' ' ' THR . . . 140.28 -69.32 0.47 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.422 1.076 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.89 -173.53 4.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 0.783 . . . . 0.0 110.304 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.43 76.54 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.033 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.541 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -48.41 -49.94 60.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.07 51.03 2.7 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.398 1.736 . . . . 0.0 110.94 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -157.22 -45.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.2 -34.81 71.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.52 1.138 . . . . 0.0 109.254 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.63 136.96 38.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 57' ' ' ASN . 23.6 p-10 -138.21 104.9 5.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' LEU . 9.0 t -66.18 -18.42 65.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.383 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.6 tttt -53.21 91.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 58' ' ' THR . 4.9 mt -57.9 108.9 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 109.232 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.571 ' CB ' ' CZ ' ' A' ' 67' ' ' PHE . . . -70.76 100.58 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.475 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 18.4 mm -74.93 -53.34 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.81 111.45 4.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.22 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 163.66 34.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.22 -62.99 0.45 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.422 1.076 . . . . 0.0 111.032 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.05 101.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 0.747 . . . . 0.0 109.948 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.571 ' CZ ' ' CB ' ' A' ' 61' ' ' ALA . 1.8 m-85 -38.23 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.1 p90 173.23 173.38 0.13 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.94 157.04 26.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 m -153.89 138.45 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.9 m -94.37 127.3 40.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.422 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.484 ' N ' ' CD2' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -101.65 171.94 7.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.444 ' O ' ' CG1' ' A' ' 96' ' ' VAL . . . -151.8 -64.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.47 ' CG2' ' HA3' ' A' ' 49' ' ' GLY . 17.1 m -39.14 129.0 1.27 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 110.375 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 141.49 26.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.454 1.765 . . . . 0.0 111.001 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.58 -178.27 23.44 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.3 m -110.42 111.77 23.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.439 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.566 ' CD2' HG12 ' A' ' 46' ' ' VAL . 6.0 m-85 -83.97 136.63 33.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.84 139.38 53.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.941 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.627 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -140.39 169.51 17.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.571 ' CE1' HG23 ' A' ' 42' ' ' ILE . 7.8 p90 -158.76 161.15 36.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -81.09 151.06 28.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 108.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.491 ' OG1' ' CD1' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -79.79 -54.08 0.94 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.02 -40.66 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -92.04 35.01 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.586 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.457 ' HD2' ' CE1' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -68.55 -19.32 64.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -104.68 -26.74 6.31 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.47 -22.89 67.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 0.729 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.17 54.39 1.87 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.4 mtp -109.03 81.47 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.58 0.812 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.473 HG11 ' CB ' ' A' ' 81' ' ' TYR . 27.3 m -130.06 146.78 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.551 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -128.54 -168.29 12.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.108 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.577 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -155.32 146.05 22.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.409 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.567 HD11 ' CE1' ' A' ' 80' ' ' PHE . 18.1 mt -139.31 123.5 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 23' ' ' ILE . 25.4 m -104.63 142.64 34.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.419 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 3.3 t -127.72 76.5 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.363 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m 66.73 90.65 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.056 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.472 HG21 ' CD1' ' A' ' 21' ' ' LEU . 12.4 m -116.42 177.28 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -146.53 159.39 43.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' GLU . 8.7 mm -122.49 117.49 52.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.511 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 5.1 mttt -97.72 135.65 39.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.57 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 10.6 mtm -108.96 99.79 9.07 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.56 1.162 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.51 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 109.72 140.54 8.81 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.466 HG23 ' CD1' ' A' ' 15' ' ' LEU . 2.1 p -101.73 160.72 14.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.359 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.62 -18.09 10.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' ALA . 5.4 mtmt -89.86 39.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 37.99 29.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -99.72 119.28 60.26 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.477 ' CA ' HG12 ' A' ' 36' ' ' VAL . 18.3 Cg_endo -75.0 95.97 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.617 1.851 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.466 ' CD1' HG23 ' A' ' 9' ' ' THR . 3.0 pp -153.72 150.31 28.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.57 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 7.4 m-85 -79.99 128.72 33.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 22.4 tt0 -127.28 128.75 24.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.98 161.42 94.88 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.044 -0.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -53.06 -39.32 63.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.81 153.46 48.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.472 ' CD1' HG21 ' A' ' 3' ' ' VAL . 9.0 tp -144.17 142.98 30.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.502 ' OG ' ' CG2' ' A' ' 95' ' ' THR . 20.4 t -130.41 140.71 50.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 97' ' ' GLU . 14.1 pt -148.07 -174.53 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.964 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 7.3 m -123.87 169.86 11.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.58 105.39 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.351 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.0 -7.63 9.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.436 1.085 . . . . 0.0 111.069 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -83.07 171.65 13.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 0.786 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' A' ' 70' ' ' VAL . 27.0 m -127.0 157.55 39.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.47 ' CG1' HD23 ' A' ' 21' ' ' LEU . 45.3 t -135.13 113.52 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.8 OUTLIER -83.89 167.03 17.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -141.92 128.6 20.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.511 ' CG1' ' CG ' ' A' ' 6' ' ' LYS . 4.3 p -136.8 148.92 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.37 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -98.96 123.93 43.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.4 m120 -81.09 -63.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.518 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -175.1 -163.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.358 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.606 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 11.3 p 47.08 52.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.463 ' HA2' ' NE2' ' A' ' 39' ' ' HIS . . . -108.91 -160.89 19.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.522 1.138 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HG3' ' CD1' ' A' ' 62' ' ' ILE . 18.4 Cg_endo -74.94 179.27 31.17 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.064 -2.473 . . . . 0.0 111.065 -0.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.606 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 19.2 m-70 -136.33 -154.04 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.626 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.434 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 1.1 p30 167.59 163.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.152 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 99.1 t -103.8 99.88 9.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.518 HG23 ' CE1' ' A' ' 81' ' ' TYR . 8.7 mm -116.03 68.59 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 50.1 m-85 -36.87 155.83 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -94.85 -50.55 5.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 mttt 169.97 144.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.598 ' CG1' ' CD2' ' A' ' 78' ' ' TYR . 12.2 m -129.16 157.76 75.01 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 175.43 11.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 111.062 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.459 ' CB ' HG23 ' A' ' 74' ' ' THR . . . 64.07 -178.08 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.88 42.47 3.11 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 111.046 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.15 -171.52 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 0.745 . . . . 0.0 110.221 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.28 72.93 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.953 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.503 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -76.13 -52.3 2.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -75.03 0.41 8.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.044 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.22 -42.06 4.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.49 ' HB3' ' CE2' ' A' ' 43' ' ' PHE . 6.2 mt -59.68 -36.16 75.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.03 103.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.85 91.07 7.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.462 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . 41.2 p -53.53 -19.57 3.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.175 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -55.55 88.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.482 ' CB ' ' O ' ' A' ' 39' ' ' HIS . 0.2 OUTLIER -68.08 142.82 55.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.554 ' HB2' ' CE1' ' A' ' 67' ' ' PHE . . . -99.67 113.26 25.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 5.2 mm -83.07 -49.63 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.364 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.67 142.97 28.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 133.25 16.31 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 66' ' ' SER . . . 176.1 37.75 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' PHE . 0.3 OUTLIER 53.44 103.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.595 0.821 . . . . 0.0 110.008 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -37.57 -77.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -178.62 175.98 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 111.049 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.76 153.05 29.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 28' ' ' THR . 2.6 m -147.59 143.16 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.399 1.062 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.2 m -107.83 146.28 32.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.4 mt -120.96 172.9 7.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . -151.04 -64.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.459 HG23 ' CB ' ' A' ' 48' ' ' ALA . 23.4 m -51.18 135.51 30.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.439 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 74' ' ' THR . 18.5 Cg_endo -74.96 145.84 32.1 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.458 1.767 . . . . 0.0 110.971 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 147.99 179.85 24.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.446 ' CG2' HG21 ' A' ' 93' ' ' THR . 23.1 m -113.61 115.33 27.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.76 . . . . 0.0 110.398 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.598 ' CD2' ' CG1' ' A' ' 46' ' ' VAL . 7.4 m-85 -89.13 135.87 33.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.17 136.32 54.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.637 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -135.91 172.51 12.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.946 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CD1' ' HD2' ' A' ' 86' ' ' ARG . 7.2 p90 -156.79 160.32 39.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.37 141.29 32.94 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.544 1.153 . . . . 0.0 108.328 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.577 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.6 OUTLIER -79.28 -47.12 1.61 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.04 -46.65 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ALA . 62.5 m80 -87.66 13.37 10.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.643 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 2.4 ttt180 -45.56 -25.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.59 1.181 . . . . 0.0 110.26 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.64 -27.47 9.05 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -62.96 -23.81 67.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.2 53.59 2.15 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.484 1.115 . . . . 0.0 111.102 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 14' ' ' PRO . 12.3 mtp -110.66 104.68 13.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.438 HG11 ' CB ' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -140.8 155.7 22.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.38 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.568 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -142.35 170.28 25.11 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.446 HG21 ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -134.1 150.72 51.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 110.406 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.463 ' CD1' HG12 ' A' ' 29' ' ' VAL . 80.5 mt -149.68 111.37 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.502 ' CG2' ' OG ' ' A' ' 22' ' ' SER . 15.2 t -100.07 155.61 17.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.575 1.172 . . . . 0.0 110.478 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 5.4 t -129.95 72.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.964 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -100.01 120.85 40.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.952 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.468 HG23 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -110.35 177.56 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.244 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -140.17 161.12 38.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 30' ' ' GLU . 7.2 mm -123.09 119.19 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.566 1.166 . . . . 0.0 109.226 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.476 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 2.5 mtmt -95.27 129.01 42.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.514 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 3.3 mpp? -104.68 99.79 9.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 109.56 139.53 8.5 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.443 1.089 . . . . 0.0 110.949 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.469 HG23 ' CD1' ' A' ' 15' ' ' LEU . 8.6 p -99.89 159.75 14.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.435 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.13 -18.34 9.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.223 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -89.52 39.24 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 38.79 29.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.447 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . . . -98.73 119.85 60.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.475 ' CA ' HG12 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -74.91 98.08 1.12 Allowed 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.437 1.757 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.469 ' CD1' HG23 ' A' ' 9' ' ' THR . 2.2 pp -157.13 150.87 24.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.514 ' CE1' ' HG3' ' A' ' 7' ' ' MET . 11.1 m-85 -80.3 129.32 34.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 22.7 tt0 -128.27 125.32 23.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.422 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.02 -178.09 22.45 Favored 'Cis proline' 0 C--N 1.361 1.217 0 C-N-CA 121.016 -2.493 . . . . 0.0 110.999 -0.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -36.7 70.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.47 160.81 40.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.468 ' CD1' HG23 ' A' ' 3' ' ' VAL . 1.9 pt? -156.45 152.64 27.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.9 t -121.77 148.09 45.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.994 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.463 ' HB ' ' CB ' ' A' ' 27' ' ' ASP . 5.2 pt -146.04 172.17 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.65 148.92 29.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 110.062 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.02 105.88 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.45 -8.69 9.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.621 1.2 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.463 ' CB ' ' HB ' ' A' ' 23' ' ' ILE . 13.1 m-20 -77.42 177.86 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.8 m -130.38 156.78 44.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.51 HG11 ' CE1' ' A' ' 31' ' ' PHE . 89.6 t -128.29 109.54 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.279 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -87.32 167.24 14.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.51 ' CE1' HG11 ' A' ' 29' ' ' VAL . 42.5 m-85 -147.05 121.48 9.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.476 ' CG1' ' CG ' ' A' ' 6' ' ' LYS . 9.3 p -122.43 152.01 26.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.464 ' CE ' ' HA ' ' A' ' 35' ' ' LYS . 1.7 ttp -100.01 123.93 44.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.4 m120 -83.72 -64.44 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.522 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -171.53 -165.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.614 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 13.0 p 47.63 49.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.467 ' HA2' ' NE2' ' A' ' 39' ' ' HIS . . . -107.31 -164.77 21.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.462 1.101 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.421 ' HA ' ' HA3' ' A' ' 37' ' ' GLY . 18.3 Cg_endo -74.99 -176.34 17.87 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.953 -2.52 . . . . 0.0 111.055 -0.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.614 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 26.4 m-70 -139.6 -150.32 0.32 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.537 1.148 . . . . 0.0 109.597 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.6 OUTLIER 167.36 160.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.9 t -99.9 99.72 9.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.559 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 2.5 mm -111.75 68.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' ILE . 17.9 m-85 -36.53 155.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -99.7 -58.59 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 176.18 148.8 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.572 HG21 ' CD2' ' A' ' 78' ' ' TYR . 11.9 p -141.19 140.96 21.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 18.2 Cg_endo -75.04 171.39 18.41 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 47' ' ' PRO . . . 84.14 42.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . 30.55 51.73 0.21 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.52 -171.49 2.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 19.7 p -116.19 71.29 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.007 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.54 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -76.46 -49.95 2.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.07 0.8 8.49 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.545 1.813 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 51' ' ' SER . . . -107.46 -22.16 12.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.32 -33.24 37.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.411 ' HB3' ' N ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -49.19 121.41 4.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.05 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.52 118.14 32.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.6 t -88.58 40.52 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -100.84 70.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -41.97 104.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.548 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -85.62 99.0 10.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.8 mp -74.21 -53.83 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.5 113.18 3.04 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.38 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.08 13.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.519 1.799 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 66' ' ' SER . . . 172.29 -55.11 0.17 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.554 1.159 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER 163.65 101.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.983 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 61' ' ' ALA . 6.0 m-85 -37.79 -86.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -168.07 174.7 7.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.82 157.13 24.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.2 137.31 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.375 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.8 m -102.81 151.09 22.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.432 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.532 HD22 ' CE2' ' A' ' 78' ' ' TYR . 12.1 mt -123.04 173.53 7.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -147.74 -44.92 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 4.8 m -74.28 138.53 75.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 110.376 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 74' ' ' THR . 18.1 Cg_endo -75.08 153.62 41.52 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.458 1.767 . . . . 0.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.15 -178.68 19.33 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 54.1 m -108.51 123.13 48.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.57 0.806 . . . . 0.0 110.415 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.572 ' CD2' HG21 ' A' ' 46' ' ' VAL . 6.8 m-85 -101.58 130.54 47.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.591 1.182 . . . . 0.0 111.056 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.0 t -119.43 162.85 18.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 109.971 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.584 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 2.2 p90 -157.39 179.43 9.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.569 ' CD1' ' HD2' ' A' ' 86' ' ' ARG . 12.7 p90 -160.39 166.99 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.37 143.78 26.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 108.282 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.553 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -79.72 -48.57 1.4 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.407 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.4 Cg_endo -74.97 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.45 1.763 . . . . 0.0 111.032 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 88' ' ' ALA . 65.7 m80 -86.4 11.14 13.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.657 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.569 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 4.2 ttt180 -44.82 -25.88 0.34 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.095 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -99.01 -27.15 8.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.416 1.072 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -62.7 -24.35 67.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.01 54.3 1.77 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.537 1.148 . . . . 0.0 111.054 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.425 ' CG ' ' O ' ' A' ' 14' ' ' PRO . 10.4 mtp -112.01 98.2 7.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.472 HG11 ' CB ' ' A' ' 81' ' ' TYR . 4.1 m -140.31 151.42 21.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.584 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -136.0 -171.38 12.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.441 ' C ' ' CG1' ' A' ' 94' ' ' ILE . 3.6 m -154.72 165.28 37.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.757 . . . . 0.0 110.304 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.46 ' CG2' HD23 ' A' ' 21' ' ' LEU . 1.1 mt -151.08 165.45 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' ILE . 23.3 m -143.43 138.83 29.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.6 t -125.37 81.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.0 m -67.24 147.74 52.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 109.949 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.471 ' CG2' HG21 ' A' ' 29' ' ' VAL . 23.2 m -116.19 176.63 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -141.73 153.46 44.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 30' ' ' GLU . 10.7 mm -124.89 113.04 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.519 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 6.9 mttp -89.17 133.48 34.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 mtm -100.79 106.12 17.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.52 156.84 20.04 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.561 1.163 . . . . 0.0 111.078 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.02 158.83 25.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.779 . . . . 0.0 110.399 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -62.25 -14.16 35.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' CG ' ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.35 40.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.231 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER 37.34 40.57 0.21 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.418 ' HB2' ' CG ' ' A' ' 11' ' ' LYS . . . -114.15 112.59 46.84 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.454 ' HG3' ' CG1' ' A' ' 36' ' ' VAL . 18.2 Cg_endo -75.02 77.75 3.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 pp -137.59 158.12 45.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.416 ' N ' ' HG3' ' A' ' 90' ' ' MET . 5.6 m-85 -77.59 142.21 39.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 32.2 tt0 -148.45 125.81 5.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.03 166.97 81.85 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.076 -2.468 . . . . 0.0 111.008 0.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -39.06 79.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.52 146.95 45.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 94' ' ' ILE . 13.3 tp -145.78 144.55 30.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.452 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 7.3 t -130.56 145.41 51.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.026 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.452 ' CG2' ' O ' ' A' ' 22' ' ' SER . 13.4 pt -154.43 -175.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.587 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 7.4 m -122.83 170.44 10.09 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.488 1.118 . . . . 0.0 109.926 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.42 105.57 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.31 -7.92 8.5 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -80.8 173.54 12.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 m -126.6 154.3 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.373 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.471 HG21 ' CG2' ' A' ' 3' ' ' VAL . 73.1 t -130.21 100.72 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.6 OUTLIER -80.51 164.05 23.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -143.58 123.42 13.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.519 ' CG1' ' CG ' ' A' ' 6' ' ' LYS . 7.5 p -130.09 148.62 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.472 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 6.8 mtp -92.02 118.84 31.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.466 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.5 m120 -78.74 -65.8 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.44 -170.37 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.572 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 1.8 t 48.69 58.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.476 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -114.16 -164.71 15.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.079 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.418 ' HA ' ' HA3' ' A' ' 37' ' ' GLY . 18.3 Cg_endo -74.97 -178.57 23.83 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.035 0.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.572 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 8.8 m-70 -134.86 -165.44 1.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.628 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 3.0 p30 -172.49 166.54 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 57' ' ' ASN . 99.7 t -109.09 113.82 45.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.565 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 7.1 mm -136.85 74.08 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.418 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 78.5 m-85 -48.42 162.93 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -92.33 -65.71 0.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HA ' ' CB ' ' A' ' 52' ' ' ALA . 3.0 mtmt -171.05 155.06 4.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.647 ' CG2' ' CD2' ' A' ' 78' ' ' TYR . 71.4 t -134.45 143.57 47.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.479 ' HD2' ' CG1' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -75.01 178.97 6.56 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.445 1.761 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.478 ' CB ' ' CG2' ' A' ' 74' ' ' THR . . . 71.64 -175.25 0.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.138 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.47 42.51 3.16 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.97 -172.55 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 110.291 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 m -124.0 75.21 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.972 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.476 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -63.11 -54.12 48.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.97 50.75 2.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.464 1.771 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.55 -45.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.04 -26.11 65.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.19 126.23 29.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.975 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' VAL . 28.6 t-20 -118.81 111.7 18.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.391 1.057 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 t -86.87 44.32 1.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -113.87 76.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.216 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.53 123.95 8.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.3 121.78 44.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 63' ' ' ALA . 9.5 tp -83.43 -46.11 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -39.32 99.74 0.2 Allowed Pre-proline 0 C--N 1.323 -0.563 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.05 135.3 18.81 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.577 1.83 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.57 -57.69 0.22 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' PHE . 6.2 t 168.45 98.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.463 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 2.0 m-85 -37.45 -84.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.463 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 16.2 p90 -170.74 174.48 4.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.77 154.92 35.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.949 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.0 m -143.57 136.51 24.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.5 m -98.06 122.73 41.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 110.448 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.444 ' N ' ' CD2' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -98.66 172.78 7.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.229 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.46 -66.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.478 ' CG2' ' CB ' ' A' ' 48' ' ' ALA . 20.3 m -38.66 128.76 1.14 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.489 0.758 . . . . 0.0 110.404 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 141.37 26.48 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.5 -179.69 21.55 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.1 m -103.52 126.45 50.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 110.453 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.647 ' CD2' ' CG2' ' A' ' 46' ' ' VAL . 5.6 m-85 -101.42 140.16 36.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 111.058 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 p -119.13 148.15 43.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.598 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 8.3 p90 -157.54 179.92 8.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.565 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 16.7 p90 -161.65 178.07 9.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.955 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.534 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 10.3 t -125.63 97.02 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 108.241 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.532 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -28.85 -57.92 0.25 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.454 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.584 ' C ' ' CG ' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -74.96 127.68 10.9 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.58 1.832 . . . . 0.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.584 ' CG ' ' C ' ' A' ' 84' ' ' PRO . 0.7 OUTLIER 84.09 -0.39 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.622 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.5 ptt85 -42.48 -41.59 3.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.99 -33.47 59.64 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -63.55 -13.47 41.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.18 79.39 1.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.536 1.148 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' A' ' 14' ' ' PRO . 3.5 ttt -133.04 79.12 1.82 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 0.772 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.11 148.07 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.598 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -148.69 159.5 28.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.646 1.216 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.407 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 1.4 m -134.78 160.01 39.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.745 . . . . 0.0 110.428 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.465 ' CD1' HG13 ' A' ' 29' ' ' VAL . 94.8 mt -144.87 131.51 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' ILE . 92.5 m -113.62 146.75 39.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 2.9 t -127.26 78.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.202 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.587 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 1.3 tm-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m 64.47 78.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 110.0 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.465 ' CG2' HG21 ' A' ' 29' ' ' VAL . 17.6 m -112.41 175.41 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.624 1.202 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -144.55 159.68 42.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 30' ' ' GLU . 6.0 mm -124.67 118.98 54.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.508 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 7.6 mttt -96.45 140.0 31.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.46 ' HE1' ' CD2' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -113.09 97.77 6.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.21 151.43 8.56 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.484 ' OG1' ' CB ' ' A' ' 13' ' ' ALA . 1.8 p -118.99 154.98 32.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.444 0.732 . . . . 0.0 110.351 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.62 -17.63 15.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.1 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.96 41.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 38.25 34.82 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.484 ' CB ' ' OG1' ' A' ' 9' ' ' THR . . . -106.35 110.42 63.87 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.428 ' C ' ' SD ' ' A' ' 90' ' ' MET . 18.2 Cg_endo -75.06 78.21 2.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.438 1.757 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 pp -135.41 161.37 35.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.065 . . . . 0.0 109.328 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.461 ' CD2' ' HG2' ' A' ' 90' ' ' MET . 5.7 m-85 -79.18 143.06 35.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.437 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 12.0 tt0 -146.06 126.57 7.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.0 164.89 87.36 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.961 -2.516 . . . . 0.0 111.013 -0.009 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -39.1 86.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.46 149.73 44.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.469 ' CD2' HG11 ' A' ' 29' ' ' VAL . 11.2 tp -140.68 140.73 34.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.47 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 9.5 t -129.7 143.0 50.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.47 ' CG2' ' O ' ' A' ' 22' ' ' SER . 16.1 pt -154.88 -176.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 m -121.42 165.47 15.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.07 104.13 0.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.74 -6.81 7.88 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -83.22 173.04 11.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 m -123.71 153.81 40.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.469 HG11 ' CD2' ' A' ' 21' ' ' LEU . 79.0 t -132.9 103.1 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.214 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -80.81 168.76 18.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 110.285 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -145.22 121.66 11.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.508 ' CG1' ' CG ' ' A' ' 6' ' ' LYS . 4.5 p -127.98 144.46 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.409 ' SD ' ' CE2' ' A' ' 67' ' ' PHE . 7.1 mtp -91.05 105.88 18.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -55.01 -69.73 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.573 1.171 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 1.9 pttt -169.49 -163.46 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 35' ' ' LYS . 12.1 p 47.68 41.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.572 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -86.92 -168.9 45.38 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.5 1.125 . . . . 0.0 111.046 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.462 ' CG ' HD11 ' A' ' 60' ' ' LEU . 18.6 Cg_endo -74.98 -179.42 26.58 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.006 -0.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.572 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 63.7 m-70 -133.47 -170.32 2.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 109.614 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.443 ' O ' ' CG2' ' A' ' 41' ' ' VAL . 3.3 t-20 -145.36 -161.36 1.29 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.452 ' CG1' ' O ' ' A' ' 41' ' ' VAL . 57.2 t -155.98 55.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.368 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.507 HG23 ' CE1' ' A' ' 81' ' ' TYR . 12.2 mm -91.53 124.93 44.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.471 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 83.0 m-85 -88.68 172.22 9.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -97.86 -59.33 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.81 143.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.572 HG13 ' CD1' ' A' ' 78' ' ' TYR . 4.0 m -122.33 158.99 54.28 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 161.18 39.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.88 120.82 1.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.244 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 145.05 -70.59 0.38 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.498 ' OE2' ' CD2' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -85.73 -176.21 5.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 0.725 . . . . 0.0 110.296 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.4 m -130.54 77.73 1.8 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.038 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.49 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -59.09 -52.69 72.94 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.6 Cg_endo -74.9 50.89 2.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 111.044 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -160.3 -44.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.486 ' CD1' ' OE2' ' A' ' 50' ' ' GLU . 11.6 mt -68.18 -23.53 64.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.32 112.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -93.93 105.19 17.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.3 t -89.91 45.11 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.365 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -134.27 73.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.462 HD11 ' CG ' ' A' ' 38' ' ' PRO . 2.6 pp -40.66 130.42 2.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.401 ' O ' ' SD ' ' A' ' 33' ' ' MET . . . -112.6 115.97 29.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 63' ' ' ALA . 8.8 tp -79.9 -48.76 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.407 ' N ' HG22 ' A' ' 62' ' ' ILE . . . -42.87 102.19 0.27 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 130.84 13.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.566 1.824 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 66' ' ' SER . . . 174.53 -53.54 0.14 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 4.6 p 165.03 99.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 0.731 . . . . 0.0 110.07 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.46 ' CD2' ' HE1' ' A' ' 7' ' ' MET . 0.8 OUTLIER -37.42 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.7 p90 178.75 174.77 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.63 156.22 33.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 110.022 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.7 m -151.95 136.82 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 72' ' ' LEU . 2.4 m -91.37 142.72 27.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.428 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.56 HD12 ' CE2' ' A' ' 78' ' ' TYR . 67.8 mt -117.4 172.89 7.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -154.65 -52.29 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.563 1.164 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.98 124.4 6.68 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 140.61 25.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.46 -177.26 20.53 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.9 t -105.0 124.3 49.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 110.371 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.572 ' CD1' HG13 ' A' ' 46' ' ' VAL . 21.7 m-85 -98.08 141.6 30.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.3 m -119.26 149.2 42.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.003 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.582 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 18.5 p90 -163.22 -178.02 5.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.507 ' CE1' HG23 ' A' ' 42' ' ' ILE . 13.7 p90 -161.27 -175.98 5.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.542 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 7.3 t -128.03 95.61 4.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.535 ' C ' ' O ' ' A' ' 82' ' ' CYS . 0.8 OUTLIER -26.88 -57.96 0.2 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.42 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.579 ' O ' ' CG ' ' A' ' 85' ' ' HIS . 18.6 Cg_endo -75.0 126.03 9.71 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 84' ' ' PRO . 2.0 m80 87.78 -4.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.629 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.5 ptt85 -39.85 -40.77 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.339 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.67 -39.28 56.11 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.541 1.15 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -59.81 -17.25 34.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 0.802 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.06 84.53 1.66 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.461 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 5.0 ttt -137.13 82.77 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 0.768 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 30.7 m -120.84 147.28 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.582 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -147.69 155.79 26.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 78' ' ' TYR . 1.3 m -134.18 159.42 40.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 0.796 . . . . 0.0 110.374 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.461 ' CD1' HG12 ' A' ' 29' ' ' VAL . 58.6 mt -141.67 130.97 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' ILE . 87.2 m -113.22 145.31 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.372 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 3.6 t -127.11 76.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t 62.35 116.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.42 1.075 . . . . 0.0 109.984 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.452 ' CG2' HD23 ' A' ' 21' ' ' LEU . 22.5 m -111.51 172.4 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.589 1.181 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.46 154.24 39.58 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 mm -120.06 117.9 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.513 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 7.1 mttt -91.88 154.49 18.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.575 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 3.4 mpp? -129.04 109.21 11.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.27 133.56 8.0 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.525 ' O ' ' CE ' ' A' ' 35' ' ' LYS . 4.4 p -96.34 154.99 16.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.34 -7.56 32.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -90.24 25.23 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 53.45 48.79 21.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.439 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . . . -136.06 123.53 14.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.415 ' O ' ' HG2' ' A' ' 90' ' ' MET . 18.4 Cg_endo -74.98 111.17 3.27 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.467 1.772 . . . . 0.0 110.977 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.479 ' CD1' HG23 ' A' ' 9' ' ' THR . 0.8 OUTLIER -170.22 151.4 3.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.575 ' CD1' ' HG3' ' A' ' 7' ' ' MET . 46.0 m-85 -80.9 138.4 36.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 17.3 tt0 -131.67 126.65 21.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.424 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.99 -176.78 18.78 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.003 -0.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.36 26.32 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 175.63 137.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.469 ' CD2' HG12 ' A' ' 29' ' ' VAL . 14.0 tp -142.22 150.01 40.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.482 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 8.1 t -133.08 146.68 51.89 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.512 1.133 . . . . 0.0 109.99 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.482 ' CG2' ' O ' ' A' ' 22' ' ' SER . 30.5 pt -156.14 -174.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.6 m -118.05 169.56 9.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.079 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -69.27 104.34 2.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.22 -6.62 8.71 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -80.15 173.78 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 0.733 . . . . 0.0 109.311 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.0 m -121.89 154.94 36.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.411 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.469 HG12 ' CD2' ' A' ' 21' ' ' LEU . 85.6 t -135.9 107.7 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.39 168.05 15.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -145.58 129.12 17.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.513 ' CG1' ' CG ' ' A' ' 6' ' ' LYS . 9.9 p -131.55 136.71 56.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.4 ' SD ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -91.19 100.97 13.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.483 ' OD1' ' CE ' ' A' ' 6' ' ' LYS . 2.0 m-20 -56.69 -73.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.525 ' CE ' ' O ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -169.99 -170.39 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.478 ' CG2' ' HD3' ' A' ' 35' ' ' LYS . 21.9 t 68.29 15.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.576 ' HA2' ' CE1' ' A' ' 39' ' ' HIS . . . -69.36 -165.9 4.64 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HA ' ' HA3' ' A' ' 37' ' ' GLY . 18.3 Cg_endo -74.97 161.41 94.89 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 121.023 -2.49 . . . . 0.0 111.015 0.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.576 ' CE1' ' HA2' ' A' ' 37' ' ' GLY . 66.5 m-70 -131.9 -164.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.067 . . . . 0.0 109.616 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.575 ' HA ' ' CE2' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -178.48 -174.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.71 82.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.7 mm -103.78 74.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -38.04 157.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.062 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 2.4 t0 -90.26 -48.12 7.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 7.8 mtmt 168.23 150.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.577 ' CG1' ' CD2' ' A' ' 78' ' ' TYR . 33.6 m -130.24 158.55 73.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' ALA . 18.1 Cg_endo -75.03 161.33 38.85 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.448 1.762 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' PRO . . . -39.11 132.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.462 ' HA3' ' CG2' ' A' ' 74' ' ' THR . . . 139.16 -61.17 0.57 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -104.29 -172.26 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 0.733 . . . . 0.0 110.28 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 76.7 p -129.1 77.08 1.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.964 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.528 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -51.13 -51.04 71.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.98 51.14 2.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -159.31 -45.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.9 mt -69.59 -29.06 66.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.1 m -47.63 104.87 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.122 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -91.96 105.99 18.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.1 t -86.78 42.23 1.0 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -113.01 63.0 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 pp -39.52 116.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.453 ' HB2' ' CE1' ' A' ' 67' ' ' PHE . . . -96.76 100.18 11.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.8 tp -67.26 -45.37 86.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.228 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.58 117.71 59.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 130.88 13.69 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.495 1.787 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.28 39.71 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.423 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 1.3 t 65.69 96.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 0.734 . . . . 0.0 109.995 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.575 ' CE2' ' HA ' ' A' ' 40' ' ' ASN . 0.3 OUTLIER -38.0 -76.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.4 ' CE2' ' HD2' ' A' ' 67' ' ' PHE . 1.3 p90 179.9 174.83 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.52 155.3 37.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.946 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.0 m -153.73 136.44 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.4 m -90.24 148.46 22.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.0 mt -129.38 172.45 11.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.44 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . -151.33 -44.48 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.462 ' CG2' ' HA3' ' A' ' 49' ' ' GLY . 1.1 m -51.2 124.76 23.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.558 0.799 . . . . 0.0 110.389 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 141.14 26.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.97 -179.22 21.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.409 ' O ' ' CG2' ' A' ' 77' ' ' THR . 3.6 t -107.54 117.81 35.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 110.395 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.577 ' CD2' ' CG1' ' A' ' 46' ' ' VAL . 6.7 m-85 -92.63 134.81 34.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.77 145.06 43.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.567 ' CE2' ' HA3' ' A' ' 92' ' ' GLY . 0.5 OUTLIER -147.88 172.48 14.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CD1' ' HD2' ' A' ' 86' ' ' ARG . 5.8 p90 -166.43 171.43 11.93 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.567 1.167 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.15 149.28 23.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.353 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.533 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -80.67 -49.76 1.1 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.374 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.07 -45.38 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.551 1.816 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 88' ' ' ALA . 64.5 m80 -84.52 9.45 13.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.63 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -43.48 -26.72 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 85' ' ' HIS . . . -102.59 -25.45 7.69 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -62.24 -23.87 66.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.767 . . . . 0.0 109.228 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.98 54.35 1.4 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 14' ' ' PRO . 3.4 mtp -113.11 82.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 0.799 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 29.0 m -121.92 164.87 18.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.567 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -155.67 172.46 33.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.586 1.179 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.404 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -142.96 155.8 44.76 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 0.768 . . . . 0.0 110.384 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.451 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 72.0 mt -148.73 135.28 12.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 23' ' ' ILE . 46.6 m -113.98 142.89 45.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 4.0 t -128.09 74.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.218 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' ILE . 4.3 mt-10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.4 m -90.39 153.36 20.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.048 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.468 ' CB ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -122.17 176.72 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -147.39 161.43 41.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 30' ' ' GLU . 4.1 mm -125.86 121.06 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.464 ' HG3' ' CG1' ' A' ' 32' ' ' VAL . 1.9 mtmt -93.43 141.76 28.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.406 ' SD ' ' CE1' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -117.4 100.84 7.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 107.76 140.89 9.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.464 HG23 ' CD1' ' A' ' 15' ' ' LEU . 1.6 p -103.25 163.97 11.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.586 0.815 . . . . 0.0 110.383 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -67.57 -8.81 37.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -91.2 32.12 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 44.44 26.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 111.049 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.403 ' O ' ' OG1' ' A' ' 9' ' ' THR . . . -108.91 125.57 31.32 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.466 ' CA ' HG23 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -74.95 110.07 3.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.464 ' CD1' HG23 ' A' ' 9' ' ' THR . 1.3 pp -162.64 150.35 13.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.573 ' CE2' ' HE1' ' A' ' 90' ' ' MET . 31.1 m-85 -83.31 127.44 33.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 16.1 tt0 -124.33 126.23 25.54 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.42 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.0 -178.37 23.27 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.014 0.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -92.33 24.52 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 179.2 143.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.468 HD12 ' CB ' ' A' ' 3' ' ' VAL . 8.3 tp -147.31 144.09 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.8 t -131.45 141.77 49.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 97' ' ' GLU . 20.1 pt -151.33 -173.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.2 m -122.06 173.23 7.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.175 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -68.98 104.18 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.61 -6.82 7.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.428 ' CB ' ' HB ' ' A' ' 23' ' ' ILE . 4.4 m-20 -82.32 173.42 12.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 0.804 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.406 ' OG1' ' OG1' ' A' ' 71' ' ' THR . 30.5 m -124.68 157.95 34.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.413 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.539 ' CG1' ' CD1' ' A' ' 94' ' ' ILE . 65.2 t -131.83 111.74 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 5' ' ' ILE . 34.8 tt0 -90.5 163.31 14.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.408 ' CD2' HG23 ' A' ' 5' ' ' ILE . 47.9 m-85 -142.26 123.97 15.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.464 ' CG1' ' HG3' ' A' ' 6' ' ' LYS . 3.8 p -123.89 157.36 30.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 109.395 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.3 ttm -107.82 128.96 55.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.15 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.8 m120 -87.1 -62.98 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.507 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -177.18 -161.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 9.3 m 49.57 35.07 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.46 ' HA2' ' NE2' ' A' ' 39' ' ' HIS . . . -93.84 -165.64 37.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -176.68 18.6 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.013 0.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.468 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 61.9 m-70 -142.15 -148.93 0.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.566 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 178.97 177.99 0.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.434 HG13 ' CE2' ' A' ' 43' ' ' PHE . 91.6 t -126.7 71.42 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.58 HG23 ' CE1' ' A' ' 81' ' ' TYR . 30.9 mt -94.93 90.76 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.434 ' CE2' HG13 ' A' ' 41' ' ' VAL . 97.9 m-85 -55.71 156.33 5.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.3 t70 -88.81 -48.01 7.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER 166.97 144.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.601 ' CG1' ' CD2' ' A' ' 78' ' ' TYR . 6.1 m -128.15 153.76 78.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 168.9 23.82 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.525 1.802 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 74.09 -178.15 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.67 42.18 3.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.415 1.072 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.33 -171.6 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 0.761 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.08 74.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.999 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.507 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -75.35 -51.92 3.18 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -74.97 0.2 9.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.448 1.762 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -102.38 -52.47 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.7 mt -53.52 -33.61 55.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 m -40.52 160.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.015 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -158.88 99.01 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.2 t -87.15 43.0 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ALA . 4.6 tttt -109.17 91.37 3.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.29 95.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.656 ' CB ' ' CZ ' ' A' ' 67' ' ' PHE . . . -83.82 96.5 8.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.157 . . . . 0.0 109.338 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 64' ' ' PRO . 3.1 mm -74.83 -54.79 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -39.83 100.04 0.21 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.06 130.7 13.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 110.965 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.19 48.19 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.6 t 63.82 96.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 0.781 . . . . 0.0 110.032 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.656 ' CZ ' ' CB ' ' A' ' 61' ' ' ALA . 1.3 m-85 -37.45 -82.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -169.28 175.04 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -118.95 160.9 21.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.0 m -149.49 140.2 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.406 ' OG1' ' OG1' ' A' ' 28' ' ' THR . 2.9 m -103.33 136.3 43.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.379 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.69 ' CD2' ' CE2' ' A' ' 78' ' ' TYR . 0.7 OUTLIER -115.84 172.39 7.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . -149.97 -56.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 19.4 m -53.27 136.37 50.2 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.486 0.756 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 74' ' ' THR . 18.3 Cg_endo -75.04 147.29 33.57 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.467 1.772 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.37 179.6 20.93 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 t -113.25 121.4 44.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.773 . . . . 0.0 110.404 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.69 ' CE2' ' CD2' ' A' ' 72' ' ' LEU . 7.2 m-85 -96.82 130.55 44.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -117.17 142.73 46.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.014 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -142.6 171.09 14.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.58 ' CE1' HG23 ' A' ' 42' ' ' ILE . 11.2 p90 -157.46 170.01 23.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -91.3 146.82 23.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 108.284 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.473 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -75.24 -55.27 2.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 110.357 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.98 -35.51 3.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -102.19 69.69 1.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 109.615 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -98.62 -11.72 21.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -110.35 -27.58 4.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.64 -23.36 67.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.787 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.81 55.57 1.51 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.573 ' HE1' ' CE2' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -108.04 74.89 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.73 . . . . 0.0 111.032 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.469 HG11 ' CB ' ' A' ' 81' ' ' TYR . 22.6 m -127.77 146.92 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.604 ' O ' ' CE1' ' A' ' 80' ' ' PHE . . . -139.53 154.84 23.83 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.122 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.94 157.26 30.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.783 . . . . 0.0 110.423 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.539 ' CD1' ' CG1' ' A' ' 29' ' ' VAL . 74.7 mt -149.46 118.12 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' ILE . 82.6 m -101.5 144.17 30.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.416 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 4.5 t -125.12 73.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 23' ' ' ILE . 6.7 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 m 65.36 82.77 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.464 HG23 ' CD1' ' A' ' 21' ' ' LEU . 1.7 m -112.32 177.22 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.168 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -144.67 160.4 41.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 30' ' ' GLU . 10.4 mm -125.94 119.35 54.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.495 ' CE ' ' OD1' ' A' ' 34' ' ' ASN . 4.5 mttp -99.55 128.62 45.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.232 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.559 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 46.6 mtm -99.51 102.93 14.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 106.45 146.86 13.99 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.451 1.094 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p -110.15 164.46 12.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.751 . . . . 0.0 110.42 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.418 ' HA ' ' CE ' ' A' ' 35' ' ' LYS . 10.2 t70 -63.5 -12.82 35.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' ALA . 4.3 mttt -90.69 37.98 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 38.53 29.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.456 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . . . -102.55 116.25 63.09 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.525 ' CB ' ' CD2' ' A' ' 85' ' ' HIS . 18.2 Cg_endo -75.02 86.02 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.548 1.815 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 13' ' ' ALA . 2.2 pp -144.25 152.78 41.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.559 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 5.3 m-85 -75.7 139.64 42.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 111.065 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 24.1 tt0 -144.07 126.42 8.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.0 170.67 71.23 Favored 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.036 -2.485 . . . . 0.0 110.982 0.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -38.63 61.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.37 144.08 47.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.464 ' CD1' HG23 ' A' ' 3' ' ' VAL . 12.1 tp -143.8 142.7 31.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.565 1.166 . . . . 0.0 109.26 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.435 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 7.7 t -132.26 144.26 50.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.951 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 95' ' ' THR . 11.1 pt -153.73 -176.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.17 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.5 m -117.8 168.5 10.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.423 1.077 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.77 103.71 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.37 -7.07 8.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.11 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.405 ' CB ' ' HB ' ' A' ' 23' ' ' ILE . 25.0 m-20 -78.44 175.44 10.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.0 m -127.73 158.36 37.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.462 ' CG1' HD13 ' A' ' 94' ' ' ILE . 54.0 t -136.49 111.62 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 5' ' ' ILE . 13.9 tt0 -87.85 166.76 14.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -145.03 130.68 18.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.44 ' CG1' ' HG2' ' A' ' 6' ' ' LYS . 3.6 p -137.17 156.45 33.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.36 103.59 15.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -58.76 -70.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.507 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -173.57 -161.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.547 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 12.9 p 47.33 44.1 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.411 ' HA2' ' CE1' ' A' ' 39' ' ' HIS . . . -90.18 -162.04 37.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HA ' ' HA3' ' A' ' 37' ' ' GLY . 18.4 Cg_endo -74.97 171.96 65.44 Favored 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.009 0.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.547 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 86.4 m-70 -137.78 176.27 8.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.565 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 3.5 p30 -161.45 169.12 22.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.588 1.18 . . . . 0.0 109.233 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.8 t -113.58 110.03 30.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.251 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.404 HG23 ' CE1' ' A' ' 81' ' ' TYR . 9.4 mm -135.35 90.86 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.401 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 90.7 m-85 -57.83 164.85 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 0.0 111.104 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -98.96 -51.5 3.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 mttp 171.79 147.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.565 HG12 ' CD2' ' A' ' 78' ' ' TYR . 4.1 m -133.87 155.77 79.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.593 1.183 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -74.98 166.35 29.41 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.499 ' CB ' ' CG2' ' A' ' 74' ' ' THR . . . 78.57 -178.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.38 42.51 3.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -77.99 -171.91 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.322 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.46 ' HB3' ' CB ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -121.61 73.91 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.028 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.512 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -74.83 -51.92 3.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -74.96 0.46 8.86 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.567 1.825 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 51' ' ' SER . . . -108.05 -42.11 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.81 -36.67 79.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.11 124.1 13.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.068 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -124.55 123.66 40.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.2 t -90.87 33.93 0.92 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -93.56 55.58 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.547 ' CD1' ' CD1' ' A' ' 62' ' ' ILE . 1.7 pp -45.73 137.86 5.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.551 ' HB2' ' CE1' ' A' ' 67' ' ' PHE . . . -103.36 120.01 39.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.547 ' CD1' ' CD1' ' A' ' 60' ' ' LEU . 18.4 mm -78.45 -46.92 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.51 147.47 49.64 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 164.62 32.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.0 -93.07 0.12 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.518 1.137 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' PHE . 85.5 p 179.2 98.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 109.967 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.551 ' CE1' ' HB2' ' A' ' 61' ' ' ALA . 1.6 m-85 -37.33 -82.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 11.0 p90 177.57 177.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.499 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 11.4 t -122.36 -179.75 4.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.012 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -170.03 144.65 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.2 m -102.51 145.59 29.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.094 . . . . 0.0 110.419 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.4 mt -116.47 172.0 7.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.14 -48.06 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.57 1.169 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.499 ' CG2' ' CB ' ' A' ' 48' ' ' ALA . 22.9 m -64.56 129.51 94.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 110.479 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 148.34 35.13 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.28 -179.8 22.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.7 t -106.27 122.99 47.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.372 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.565 ' CD2' HG12 ' A' ' 46' ' ' VAL . 6.3 m-85 -98.41 139.15 34.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p -125.29 144.51 50.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.4 1.062 . . . . 0.0 110.074 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.583 ' CE1' ' C ' ' A' ' 92' ' ' GLY . 6.6 p90 -149.24 -173.12 4.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.062 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.404 ' CE1' HG23 ' A' ' 42' ' ' ILE . 3.2 p90 -166.59 174.95 8.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.545 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 52.0 t -121.11 99.81 6.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 108.282 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.544 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -27.14 -58.86 0.21 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.102 . . . . 0.0 110.415 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.545 ' HD2' ' SG ' ' A' ' 82' ' ' CYS . 18.5 Cg_endo -75.0 143.69 29.35 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.525 ' CD2' ' CB ' ' A' ' 14' ' ' PRO . 14.6 m80 85.46 -62.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER 37.88 -93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.268 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -45.2 -24.34 0.88 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.572 1.17 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 85' ' ' HIS . . . -60.46 -15.44 26.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.97 55.6 1.84 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.541 1.151 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.446 ' SD ' ' C ' ' A' ' 14' ' ' PRO . 1.3 ttt -117.42 65.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.733 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.5 m -119.01 146.4 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.583 ' C ' ' CE1' ' A' ' 80' ' ' PHE . . . -146.45 164.55 28.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -140.27 161.35 37.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.75 . . . . 0.0 110.383 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.462 HD13 ' CG1' ' A' ' 29' ' ' VAL . 95.4 mt -142.94 131.92 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' ILE . 41.4 m -115.07 142.53 46.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.435 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 17.7 t -126.79 74.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.274 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.69 169.0 18.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.982 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.456 ' CG2' HG23 ' A' ' 23' ' ' ILE . 1.2 m -125.74 177.46 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -148.5 159.37 44.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.506 ' HB ' ' CD1' ' A' ' 31' ' ' PHE . 12.5 mm -125.07 107.89 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -89.3 139.1 30.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.414 ' HG2' ' CE ' ' A' ' 90' ' ' MET . 3.5 mtm -108.86 101.51 10.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.445 ' O ' ' ND2' ' A' ' 34' ' ' ASN . . . 117.86 145.31 7.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.9 p -110.15 158.6 18.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -60.58 -15.16 25.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.51 38.96 0.96 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 40.16 28.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -104.08 116.21 61.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.44 ' CA ' HG12 ' A' ' 36' ' ' VAL . 18.3 Cg_endo -75.06 92.66 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.567 1.825 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.438 ' CA ' ' SD ' ' A' ' 90' ' ' MET . 6.9 tt -142.08 172.24 12.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.416 ' CE2' ' HB2' ' A' ' 82' ' ' CYS . 5.2 m-85 -96.37 127.86 42.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.074 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.476 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 18.9 tt0 -132.95 130.53 21.53 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.4 1.063 . . . . 0.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.476 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.1 Cg_endo -75.03 150.94 96.22 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.009 0.055 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.73 -39.94 19.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.26 148.27 48.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.411 HD12 ' CB ' ' A' ' 3' ' ' VAL . 5.9 tp -139.55 140.39 37.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 t -128.87 141.27 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.618 1.199 . . . . 0.0 109.952 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.456 HG23 ' CG2' ' A' ' 3' ' ' VAL . 15.0 pt -150.72 -176.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.769 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 8.7 m -121.76 161.94 21.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.041 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.54 105.82 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.7 -7.98 8.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -82.17 173.83 11.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.789 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.0 m -122.66 155.87 35.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.474 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.459 HG12 ' CD1' ' A' ' 94' ' ' ILE . 85.2 t -129.38 107.08 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 5' ' ' ILE . 1.3 tt0 -84.99 166.01 17.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.506 ' CD1' ' HB ' ' A' ' 5' ' ' ILE . 73.2 m-85 -142.92 123.94 14.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.142 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -122.59 151.28 26.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.521 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 1.9 ttp -103.62 83.95 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.985 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -40.39 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.363 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.525 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -169.43 -162.8 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.525 ' CG1' ' O ' ' A' ' 35' ' ' LYS . 12.9 p 48.14 46.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.599 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -90.99 -163.3 38.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.47 ' HG3' ' CD1' ' A' ' 62' ' ' ILE . 18.4 Cg_endo -74.99 174.95 50.02 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.026 -2.489 . . . . 0.0 111.005 -0.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.599 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 66.3 m-70 -132.51 -172.01 2.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.623 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.513 ' OD1' ' CD ' ' A' ' 84' ' ' PRO . 6.6 p-10 -169.95 -175.71 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.0 t -133.89 108.32 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.531 HG21 ' CZ ' ' A' ' 81' ' ' TYR . 59.4 mt -137.98 104.04 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -74.38 166.26 23.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -97.53 -54.34 3.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.607 1.192 . . . . 0.0 109.311 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 mttt 177.85 148.56 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.69 ' CG1' ' CD2' ' A' ' 78' ' ' TYR . 9.6 m -130.8 156.2 80.29 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -178.07 3.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 111.044 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.482 ' CB ' ' CG2' ' A' ' 74' ' ' THR . . . 70.97 -177.86 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.222 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.2 37.32 3.41 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.17 -172.93 4.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 0.761 . . . . 0.0 110.345 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 m -123.49 74.35 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 1.087 . . . . 0.0 110.09 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.499 ' N ' ' CD ' ' A' ' 53' ' ' PRO . . . -63.25 -52.34 62.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -75.05 50.48 2.55 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.522 1.801 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.6 -45.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.25 -20.91 63.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 p -58.11 144.83 38.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.958 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -135.96 113.13 10.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.7 t -90.12 24.92 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.452 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.6 74.54 10.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.54 114.81 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.563 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -91.24 110.94 22.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.242 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.47 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 9.4 mm -75.31 -50.22 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.45 114.5 14.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 141.92 27.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.793 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.39 -73.16 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.0 t -173.49 104.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 109.98 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -45.32 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.8 p90 177.93 176.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.86 159.55 24.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 m -151.48 136.8 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.9 m -97.4 142.41 29.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.4 mt -129.43 172.48 11.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.48 -51.04 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 0.0 111.022 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.482 ' CG2' ' CB ' ' A' ' 48' ' ' ALA . 2.5 m -41.69 123.08 2.38 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.507 0.769 . . . . 0.0 110.4 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 141.55 26.87 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.63 -179.05 20.05 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.4 m -103.9 127.02 51.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 110.449 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.69 ' CD2' ' CG1' ' A' ' 46' ' ' VAL . 6.5 m-85 -102.73 135.58 44.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.4 m -114.32 145.12 42.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.048 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.599 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 8.6 p90 -156.05 179.31 9.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.531 ' CZ ' HG21 ' A' ' 42' ' ' ILE . 7.4 p90 -154.89 -174.77 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.517 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 11.3 t -131.48 101.05 5.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.238 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.569 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -31.55 -59.97 0.33 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.586 ' C ' ' CG ' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -74.99 128.53 11.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.586 ' CG ' ' C ' ' A' ' 84' ' ' PRO . 1.9 m80 87.39 -2.98 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -38.29 -52.71 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -68.22 -34.64 81.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -61.49 -14.77 31.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.398 0.705 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.52 91.18 1.39 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.438 ' SD ' ' CA ' ' A' ' 15' ' ' LEU . 3.6 ttt -148.07 93.41 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.387 0.698 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.7 m -132.88 147.39 31.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.599 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -146.69 154.57 26.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.547 1.154 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -128.2 158.27 38.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.348 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.459 ' CD1' HG12 ' A' ' 29' ' ' VAL . 74.0 mt -142.99 123.6 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.366 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ILE . 94.1 m -109.07 146.6 33.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.447 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 96' ' ' VAL . 3.8 t -127.41 75.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.769 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p -87.36 167.5 13.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.429 HG23 ' CD1' ' A' ' 21' ' ' LEU . 13.6 m -112.6 176.8 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -148.46 152.03 36.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 110.282 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' GLU . 4.4 mm -115.53 112.76 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.462 ' HG2' ' CG1' ' A' ' 32' ' ' VAL . 26.9 mttt -81.85 141.6 33.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.589 ' CE ' ' CD1' ' A' ' 67' ' ' PHE . 3.1 mpp? -114.95 103.46 10.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 104.59 143.26 12.07 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.58 1.175 . . . . 0.0 111.009 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.507 ' OG1' ' CB ' ' A' ' 13' ' ' ALA . 81.4 p -112.82 154.24 26.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.565 0.803 . . . . 0.0 110.396 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -61.08 -15.1 29.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -91.41 39.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 42.06 32.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.507 ' CB ' ' OG1' ' A' ' 9' ' ' THR . . . -107.73 103.0 47.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.422 ' C ' ' SD ' ' A' ' 90' ' ' MET . 18.2 Cg_endo -75.04 81.18 2.28 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.538 1.81 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.433 HD13 ' CG2' ' A' ' 9' ' ' THR . 3.6 pp -141.51 155.29 45.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -72.43 124.63 25.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.417 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 21.5 tt0 -119.91 125.38 27.4 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.417 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.1 Cg_endo -75.02 -174.11 13.54 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.985 -2.506 . . . . 0.0 110.924 0.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.58 23.54 3.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 176.81 137.09 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.429 ' CD1' HG23 ' A' ' 3' ' ' VAL . 11.1 tp -138.34 143.48 39.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.449 ' HA ' ' CG2' ' A' ' 95' ' ' THR . 23.2 t -128.69 139.05 52.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.059 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 97' ' ' GLU . 18.6 pt -145.87 -173.73 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.2 m -119.83 175.2 6.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.936 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.15 101.94 3.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.23 1.52 9.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.402 ' CB ' ' HB ' ' A' ' 23' ' ' ILE . 5.6 m-20 -86.41 175.08 8.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.785 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.2 m -124.61 157.02 36.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.467 ' CG1' HD13 ' A' ' 94' ' ' ILE . 89.7 t -132.7 106.4 10.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 5' ' ' ILE . 3.3 tt0 -87.55 169.27 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -146.63 127.74 14.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 111.009 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.462 ' CG1' ' HG2' ' A' ' 6' ' ' LYS . 3.5 p -128.14 142.82 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -91.51 116.1 28.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 2.0 m120 -75.47 -68.19 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.546 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -170.57 -167.58 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.546 ' CG1' ' O ' ' A' ' 35' ' ' LYS . 8.8 p 49.74 41.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.222 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.597 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -89.52 -162.74 38.69 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.147 . . . . 0.0 111.072 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -179.84 28.07 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.026 0.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.597 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 52.0 m-70 -135.75 -173.38 3.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.636 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.481 ' ND2' ' CG1' ' A' ' 42' ' ' ILE . 50.6 p-10 -164.63 -172.21 2.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.3 t -136.08 90.48 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.517 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 10.8 mm -119.63 112.35 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -76.98 159.73 29.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.7 t0 -91.61 -49.3 6.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.534 1.146 . . . . 0.0 109.393 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 2.2 mtmt 168.58 144.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.513 HG13 ' CD1' ' A' ' 78' ' ' TYR . 10.2 m -123.09 157.91 59.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' ALA . 18.5 Cg_endo -74.98 163.78 34.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' PRO . . . -39.97 130.47 2.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 136.03 -66.15 0.56 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.18 -175.33 3.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 0.745 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.42 78.68 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.509 ' CB ' ' CG1' ' A' ' 46' ' ' VAL . . . -54.44 -52.44 69.4 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.95 50.99 2.65 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.83 -45.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.51 -33.07 70.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -43.0 122.3 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -124.33 127.6 47.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.5 t -91.14 33.21 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 110.392 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -88.21 69.54 9.18 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.56 127.55 28.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.567 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . . . -96.86 107.26 19.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.43 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 1.7 mp -75.12 -51.81 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.82 144.15 98.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 131.57 14.53 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.03 -135.91 3.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -131.36 106.32 8.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 0.807 . . . . 0.0 109.984 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.589 ' CD1' ' CE ' ' A' ' 7' ' ' MET . 28.3 m-85 -37.4 -73.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 111.046 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.6 p90 175.22 174.61 0.23 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.19 164.01 15.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -155.78 138.49 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 90.5 m -99.27 152.32 20.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.392 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.563 HD22 ' CE2' ' A' ' 78' ' ' TYR . 1.6 mt -123.98 169.15 11.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.396 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -156.06 42.31 0.56 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.43 1.081 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -145.97 128.59 8.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.566 0.803 . . . . 0.0 110.385 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 141.67 26.87 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.17 -179.89 18.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.4 t -106.34 122.98 47.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 110.378 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.563 ' CE2' HD22 ' A' ' 72' ' ' LEU . 21.8 m-30 -96.23 145.72 25.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.09 138.1 54.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.469 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 3.0 p90 -146.04 178.77 7.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.517 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 14.3 p90 -155.12 175.25 14.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.539 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 8.7 t -124.05 99.61 6.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 108.32 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.545 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -30.65 -58.96 0.31 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.35 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.623 ' C ' ' CG ' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -75.0 132.67 15.69 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.48 1.779 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.623 ' CG ' ' C ' ' A' ' 84' ' ' PRO . 0.1 OUTLIER 80.3 -3.94 1.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.617 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -42.37 -41.21 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.372 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.74 -36.97 88.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -63.32 -14.67 52.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.66 79.97 1.37 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 14' ' ' PRO . 5.3 ttt -129.89 84.88 2.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 0.758 . . . . 0.0 111.034 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.8 m -124.62 147.66 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.469 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -141.92 160.76 27.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.93 151.9 49.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 0.72 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.467 HD13 ' CG1' ' A' ' 29' ' ' VAL . 84.1 mt -143.97 117.85 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.449 ' CG2' ' HA ' ' A' ' 22' ' ' SER . 15.1 t -106.3 155.83 19.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.43 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.408 HG21 ' CD1' ' A' ' 23' ' ' ILE . 37.9 t -130.3 72.72 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.587 1.18 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.999 ' CG2' HD21 ' A' ' 21' ' ' LEU . 15.0 m -120.6 174.66 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -143.53 146.1 33.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.502 ' HA ' HD13 ' A' ' 5' ' ' ILE . 7.6 mm -106.37 108.79 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.429 ' HG2' ' CG1' ' A' ' 32' ' ' VAL . 37.0 mttt -88.65 129.26 35.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.518 ' HB3' ' HE1' ' A' ' 90' ' ' MET . 4.8 mpp? -100.68 103.85 15.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.16 144.11 10.07 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.45 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 1.2 p -108.05 164.52 12.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 0.721 . . . . 0.0 110.388 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -63.66 -12.81 36.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.521 ' HE3' HD21 ' A' ' 15' ' ' LEU . 14.4 pttt -90.78 37.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 38.98 29.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.474 ' HB2' ' HG3' ' A' ' 11' ' ' LYS . . . -105.35 117.48 58.18 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.543 ' HG3' HG11 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -74.94 96.52 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.526 1.803 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.521 HD21 ' HE3' ' A' ' 11' ' ' LYS . 3.0 pp -150.2 156.97 42.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.422 ' N ' ' HG3' ' A' ' 90' ' ' MET . 4.1 m-85 -81.0 130.54 35.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.499 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 25.5 tt0 -139.58 134.01 16.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.01 139.3 60.94 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.032 -2.487 . . . . 0.0 111.023 0.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' PRO . 2.0 tttt -39.59 -39.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.42 145.18 50.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.999 HD21 ' CG2' ' A' ' 3' ' ' VAL . 12.1 tp -142.15 142.06 32.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.602 ' H ' HD12 ' A' ' 21' ' ' LEU . 8.7 t -128.93 143.83 51.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.968 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.771 HD12 ' HB2' ' A' ' 27' ' ' ASP . 18.8 pt -150.13 -175.48 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . 1.009 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 8.1 m -106.67 170.18 8.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.163 . . . . 0.0 110.087 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.442 ' HA ' ' CG1' ' A' ' 96' ' ' VAL . . . -72.65 101.48 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.47 -3.29 9.51 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.771 ' HB2' HD12 ' A' ' 23' ' ' ILE . 8.9 m-20 -76.97 176.46 8.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.509 ' HG1' ' HG1' ' A' ' 71' ' ' THR . 12.1 m -122.67 154.64 37.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.638 HG12 ' CE1' ' A' ' 31' ' ' PHE . 73.2 t -132.47 103.15 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 5' ' ' ILE . 7.8 tt0 -80.02 170.2 16.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.586 1.179 . . . . 0.0 110.317 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.638 ' CE1' HG12 ' A' ' 29' ' ' VAL . 57.4 m-85 -148.97 118.07 6.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.874 HG23 ' HA ' ' A' ' 66' ' ' SER . 3.1 p -125.18 149.43 29.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.511 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 24.8 mtp -92.72 112.67 24.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.424 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.3 m120 -71.47 -67.54 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.74 -175.04 2.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.543 HG11 ' HG3' ' A' ' 14' ' ' PRO . 3.8 t 55.18 67.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.414 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -100.69 -172.47 29.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.563 1.164 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 178.5 34.41 Favored 'Cis proline' 0 C--N 1.361 1.211 0 C-N-CA 120.944 -2.523 . . . . 0.0 111.039 -0.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.511 ' CD2' ' HG2' ' A' ' 33' ' ' MET . 93.6 m-70 -133.5 -171.22 2.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.594 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -175.41 -173.2 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' ASN . 93.5 t -138.31 89.69 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.663 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 67.3 mt -122.22 100.87 9.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.44 ' N ' ' OG ' ' A' ' 56' ' ' SER . 98.1 m-85 -61.76 160.46 11.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.45 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 4.6 t70 -90.56 -50.56 5.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 4.2 mtmt 167.24 146.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.597 1.186 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 1.028 HG13 ' HB2' ' A' ' 52' ' ' ALA . 9.3 m -128.69 158.37 72.34 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.111 0 O-C-N 124.509 1.794 . . . . 0.0 111.014 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 1.028 ' HB2' HG13 ' A' ' 46' ' ' VAL . . . -54.38 -51.26 79.59 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.764 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.09 51.03 2.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -159.09 -48.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.2 mt -67.92 -21.08 65.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' A' ' 43' ' ' PHE . 3.0 m -50.7 167.17 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.975 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' VAL . 5.2 t-20 -160.57 108.1 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.1 t -89.54 21.3 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.453 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -85.75 55.67 3.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 60' ' ' LEU . 2.2 pp -40.45 127.5 2.38 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.35 117.21 30.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.2 tp -68.33 -43.95 84.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.54 120.17 12.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 131.15 14.08 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.85 -167.32 40.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.874 ' HA ' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -90.26 97.28 11.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 0.73 . . . . 0.0 110.011 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.469 ' CE2' ' SD ' ' A' ' 33' ' ' MET . 2.1 m-85 -37.51 -76.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -178.11 174.32 1.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.419 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -118.8 159.79 23.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.976 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 69' ' ' SER . 6.2 m -152.21 136.97 10.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.509 ' HG1' ' HG1' ' A' ' 28' ' ' THR . 1.9 m -95.88 147.2 23.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.96 172.45 9.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.58 -44.77 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.516 1.135 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -55.77 123.93 54.67 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.449 0.735 . . . . 0.0 110.405 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.95 143.83 29.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.26 -178.93 20.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.108 . . . . 0.0 111.058 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -103.81 125.26 50.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 110.392 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.775 ' CD2' HG11 ' A' ' 46' ' ' VAL . 7.1 m-85 -106.94 138.91 42.22 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.6 t -116.72 165.32 13.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.565 ' CE1' ' HA3' ' A' ' 92' ' ' GLY . 14.5 p90 -163.74 -178.05 5.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.663 ' CZ ' HG22 ' A' ' 42' ' ' ILE . 11.4 p90 -167.94 162.37 13.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 111.052 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.24 147.73 24.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.346 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.566 ' OG1' HD12 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -76.09 -54.95 1.92 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.446 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.02 -31.24 6.34 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -107.45 67.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.607 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -101.16 -27.48 13.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -99.32 -22.38 13.01 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.24 -10.9 55.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 80.24 54.83 3.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.518 ' HE1' ' HB3' ' A' ' 7' ' ' MET . 9.0 ttt -115.95 77.87 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 0.73 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.56 150.54 32.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 80' ' ' PHE . . . -142.15 -173.31 14.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.432 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 1.3 m -152.89 159.55 43.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.577 0.81 . . . . 0.0 110.424 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.448 HD12 ' CE2' ' A' ' 80' ' ' PHE . 5.8 mt -136.96 151.23 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' ILE . 2.7 m -130.43 138.4 50.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 53.8 t -124.79 85.94 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 1.009 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.921 HG21 HD11 ' A' ' 21' ' ' LEU . 3.0 m -126.79 177.35 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.29 148.23 36.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 5' ' ' ILE . 8.4 mm -113.34 110.99 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.532 ' HG2' HG13 ' A' ' 32' ' ' VAL . 23.2 mttt -91.21 128.92 37.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.489 ' HB3' ' HE1' ' A' ' 90' ' ' MET . 0.0 OUTLIER -101.55 98.61 8.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.05 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.64 150.41 9.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.81 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 30.4 p -115.06 155.9 26.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 110.363 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -60.17 -15.6 25.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.41 40.07 1.0 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.216 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 40.24 28.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.81 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -103.83 113.25 65.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.562 ' HG3' HG21 ' A' ' 36' ' ' VAL . 18.3 Cg_endo -75.07 89.38 1.17 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 89' ' ' GLY . 1.8 tt -140.58 170.77 15.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.589 1.18 . . . . 0.0 109.354 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.485 ' O ' HD23 ' A' ' 15' ' ' LEU . 3.6 m-85 -93.82 127.35 39.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 16.6 tt0 -131.42 130.64 22.58 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.472 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -74.98 151.84 97.44 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.959 -2.517 . . . . 0.0 110.982 -0.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -49.52 -39.86 35.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.76 152.1 44.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.921 HD11 HG21 ' A' ' 3' ' ' VAL . 11.1 tp -144.96 142.8 30.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.661 ' H ' HD12 ' A' ' 21' ' ' LEU . 9.9 t -129.57 143.09 50.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.675 HD12 ' HB2' ' A' ' 27' ' ' ASP . 12.9 pt -155.12 -175.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.471 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 5.0 p -120.9 169.34 10.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.472 1.107 . . . . 0.0 110.031 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.62 105.61 1.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.9 -7.26 8.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.675 ' HB2' HD12 ' A' ' 23' ' ' ILE . 37.5 m-20 -81.23 173.84 12.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.356 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 m -127.11 154.09 45.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 110.416 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.672 HG11 HD13 ' A' ' 94' ' ' ILE . 97.6 t -131.56 102.57 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 5' ' ' ILE . 12.2 tt0 -77.3 170.37 16.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.254 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 30' ' ' GLU . 39.8 m-85 -147.24 118.25 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.532 HG13 ' HG2' ' A' ' 6' ' ' LYS . 9.9 p -122.09 152.22 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.574 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 2.7 ttp -94.85 119.26 33.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.38 -65.78 0.91 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.492 ' C ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -171.19 -167.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.233 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.562 HG21 ' HG3' ' A' ' 14' ' ' PRO . 8.9 p 46.16 55.91 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.598 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -90.94 -171.81 43.51 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HB3' HD13 ' A' ' 62' ' ' ILE . 18.2 Cg_endo -75.03 -169.02 6.98 Favored 'Cis proline' 0 C--N 1.361 1.206 0 C-N-CA 120.925 -2.531 . . . . 0.0 111.0 -0.002 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.598 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 81.2 m-70 -145.52 -170.6 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.547 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 1.6 p30 171.84 167.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.744 ' O ' HD13 ' A' ' 42' ' ' ILE . 41.1 t -108.17 111.33 35.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.744 HD13 ' O ' ' A' ' 41' ' ' VAL . 6.5 mm -129.18 69.52 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -37.95 157.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.1 t70 -92.76 -49.07 6.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 1.8 mttt 167.51 149.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.954 HG22 ' HB2' ' A' ' 52' ' ' ALA . 30.0 m -131.14 159.1 73.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 110.971 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.564 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.954 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -54.67 -50.41 85.82 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.718 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.2 Cg_endo -75.01 51.02 2.68 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.564 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -159.43 -45.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.24 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.6 mt -70.22 -28.25 65.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.47 94.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -83.88 116.54 22.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 t -90.28 35.65 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -99.76 74.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.64 103.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.667 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -81.07 108.01 14.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.373 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.485 HD13 ' HB3' ' A' ' 38' ' ' PRO . 26.0 mm -72.24 -49.12 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.34 114.04 27.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.43 21.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.43 55.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.485 ' HA ' HG23 ' A' ' 32' ' ' VAL . 2.6 m 55.21 89.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.968 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.667 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 2.0 m-85 -37.49 -83.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.438 1.087 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -171.1 174.77 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.17 159.02 26.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.023 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.5 m -148.52 136.23 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.3 m -96.52 121.16 38.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.5 HD22 ' N ' ' A' ' 72' ' ' LEU . 1.9 mm? -91.87 173.21 7.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -151.48 -63.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 111.056 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.405 ' HB ' ' OH ' ' A' ' 78' ' ' TYR . 2.0 m -45.39 130.5 6.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.434 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 144.52 30.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.78 -178.59 19.62 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.2 m -106.5 118.47 36.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.371 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.95 ' CD2' HG11 ' A' ' 46' ' ' VAL . 7.1 m-85 -93.4 139.67 30.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.386 1.054 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p -121.17 146.54 46.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.474 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 8.5 p90 -147.79 -173.57 4.32 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.743 ' CB ' HG12 ' A' ' 91' ' ' VAL . 15.8 p90 -172.15 166.15 6.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.89 123.85 37.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 108.341 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.506 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -53.27 -51.32 76.47 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.4 Cg_endo -74.9 -59.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.484 1.781 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.504 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 29.4 m80 -77.51 56.16 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.388 1.055 . . . . 0.0 109.574 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -90.28 -36.0 14.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.598 1.186 . . . . 0.0 110.335 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.34 -29.62 16.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.01 -13.94 60.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 0.733 . . . . 0.0 109.318 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.655 ' O ' HD12 ' A' ' 15' ' ' LEU . . . 81.93 83.02 0.83 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.489 ' HE1' ' HB3' ' A' ' 7' ' ' MET . 9.9 ttt -141.51 77.15 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 111.061 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.743 HG12 ' CB ' ' A' ' 81' ' ' TYR . 4.6 m -130.14 147.4 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.474 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -138.31 -171.64 12.25 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.546 1.154 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.4 m -147.0 160.21 42.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 110.411 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.672 HD13 HG11 ' A' ' 29' ' ' VAL . 94.9 mt -144.56 125.55 8.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.391 1.057 . . . . 0.0 109.266 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ILE . 64.0 m -106.89 143.84 34.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.375 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.734 ' O ' HG12 ' A' ' 96' ' ' VAL . 3.8 t -127.73 75.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.241 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.471 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 1.9 mt-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.612 1.195 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 1.149 HG21 HD11 ' A' ' 21' ' ' LEU . 16.1 m -116.05 171.09 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.427 ' CB ' ' HB3' ' A' ' 30' ' ' GLU . 6.3 pt20 -136.69 164.53 28.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' GLU . 8.2 mm -123.81 117.81 52.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.585 1.178 . . . . 0.0 109.284 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.477 ' HG2' HG13 ' A' ' 32' ' ' VAL . 3.2 mtmt -99.16 133.83 42.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.423 ' HG2' ' CE ' ' A' ' 90' ' ' MET . 7.6 mtm -105.07 99.95 9.56 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.5 145.63 9.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.627 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 2.3 p -108.69 160.74 15.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 0.775 . . . . 0.0 110.35 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -60.15 -15.72 26.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' ALA . 6.3 ttmt -90.74 39.79 1.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.179 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 38.11 29.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.627 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -104.29 116.98 60.41 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.542 ' HG3' HG21 ' A' ' 36' ' ' VAL . 18.3 Cg_endo -75.01 95.06 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.418 1.746 . . . . 0.0 111.053 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.529 HD11 HG21 ' A' ' 9' ' ' THR . 1.8 pp -149.22 152.27 35.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.415 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 2.5 m-85 -78.09 128.28 33.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 14.4 tt0 -132.15 134.25 24.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.02 142.06 73.62 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.95 0.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -39.94 7.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.71 141.33 48.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.149 HD11 HG21 ' A' ' 3' ' ' VAL . 13.9 tp -142.99 139.22 30.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.366 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.423 ' C ' HG23 ' A' ' 23' ' ' ILE . 9.2 t -130.2 143.06 50.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.658 HG13 HG22 ' A' ' 96' ' ' VAL . 20.2 pt -151.87 -175.15 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.619 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 47.2 t -117.51 -176.38 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.02 102.66 10.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.32 -5.72 8.75 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.583 ' HB2' HD12 ' A' ' 23' ' ' ILE . 22.6 m-20 -77.85 174.02 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 m -121.88 160.14 25.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.778 HG11 HD13 ' A' ' 94' ' ' ILE . 89.9 t -136.68 104.31 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -79.41 167.99 20.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.108 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CE1' HG12 ' A' ' 29' ' ' VAL . 50.6 m-85 -148.8 125.0 10.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.878 HG23 ' HA ' ' A' ' 66' ' ' SER . 4.8 p -135.46 151.91 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.556 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 21.9 mtp -97.04 118.39 33.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.455 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.1 m120 -75.82 -66.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.51 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -169.03 -166.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.542 HG21 ' HG3' ' A' ' 14' ' ' PRO . 11.4 p 46.68 52.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.596 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -88.75 -170.15 45.23 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.452 1.095 . . . . 0.0 111.047 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.55 9.55 Favored 'Cis proline' 0 C--N 1.359 1.106 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.029 -0.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.596 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 84.7 m-70 -145.33 -169.71 3.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.544 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.525 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 2.7 p30 169.61 169.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.666 ' O ' HD13 ' A' ' 42' ' ' ILE . 86.4 t -110.03 113.82 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.231 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.666 HD13 ' O ' ' A' ' 41' ' ' VAL . 13.7 mm -134.4 70.52 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.436 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 82.0 m-85 -39.1 159.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 2.3 t70 -93.09 -49.96 5.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 5.8 mttt 167.58 149.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.976 HG22 ' HB2' ' A' ' 52' ' ' ALA . 27.8 m -130.17 159.01 72.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.116 0 O-C-N 124.591 1.837 . . . . 0.0 110.979 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.976 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -50.19 -50.9 67.28 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.417 1.073 . . . . 0.0 109.274 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.735 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -75.1 51.2 2.76 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.41 -45.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.078 . . . . 0.0 109.349 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 55' ' ' LEU . 13.0 mt -67.87 -33.08 74.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.19 112.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -108.47 129.49 55.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.5 t -91.08 30.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -86.56 54.52 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.637 HD11 HD11 ' A' ' 62' ' ' ILE . 1.8 pp -41.52 119.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.69 109.71 20.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.637 HD11 HD11 ' A' ' 60' ' ' LEU . 25.8 mm -71.89 -50.51 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.68 147.08 94.32 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.252 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.54 21.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.46 -172.66 41.78 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.878 ' HA ' HG23 ' A' ' 32' ' ' VAL . 57.5 p -94.16 104.73 16.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 0.749 . . . . 0.0 110.06 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.525 ' CZ ' ' HA ' ' A' ' 40' ' ' ASN . 1.8 m-85 -37.14 -73.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.3 p90 173.42 173.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 111.041 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.42 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -111.95 156.2 22.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 110.041 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 69' ' ' SER . 2.2 m -151.67 138.01 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.541 1.15 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.3 m -90.56 155.05 19.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.6 mt -132.8 163.27 29.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.02 -49.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.42 ' HB ' ' OH ' ' A' ' 78' ' ' TYR . 1.0 OUTLIER -49.67 121.12 11.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.395 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.97 27.25 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.477 1.777 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.09 -179.22 19.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.2 t -99.94 123.25 43.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 0.746 . . . . 0.0 110.392 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.844 ' CD2' HG11 ' A' ' 46' ' ' VAL . 7.9 m-85 -100.17 134.38 43.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 m -120.39 140.02 51.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.493 ' N ' ' CD1' ' A' ' 80' ' ' PHE . 3.1 p90 -141.34 -171.07 3.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -172.24 168.55 5.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.96 114.13 25.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 108.306 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.509 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -43.47 -51.18 15.73 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.92 -61.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.452 1.764 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -77.77 71.12 4.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.612 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -99.7 -39.62 8.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.67 -21.82 38.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.13 -9.91 50.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.434 0.726 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.65 65.75 1.94 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.474 1.109 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.423 ' CE ' ' HG2' ' A' ' 7' ' ' MET . 8.4 ttt -127.24 77.26 1.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 0.733 . . . . 0.0 111.046 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.8 m -128.44 156.31 40.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.148 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.412 ' C ' ' CE1' ' A' ' 80' ' ' PHE . . . -146.52 -168.63 13.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.441 1.088 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -146.82 161.5 40.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 0.733 . . . . 0.0 110.387 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.778 HD13 HG11 ' A' ' 29' ' ' VAL . 58.6 mt -150.41 115.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.546 1.154 . . . . 0.0 109.38 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' ILE . 97.5 m -102.92 147.51 26.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.407 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.743 ' O ' HG12 ' A' ' 96' ' ' VAL . 6.0 t -127.63 72.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.619 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.922 HG21 HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -115.86 174.02 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -144.0 153.61 42.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.492 HG21 ' CE2' ' A' ' 31' ' ' PHE . 5.6 mm -119.04 113.92 43.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.628 ' HG2' HG13 ' A' ' 32' ' ' VAL . 27.5 mttt -94.61 130.09 41.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.46 ' CE ' ' HB3' ' A' ' 31' ' ' PHE . 6.5 mtm -100.22 101.52 12.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.15 146.13 8.86 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.834 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 16.7 p -109.95 159.04 17.61 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 0.73 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -58.49 -16.99 17.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.18 40.65 1.01 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 38.35 29.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.056 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.834 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -101.71 115.47 64.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.746 ' HG3' HG11 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -75.03 85.8 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.551 1.816 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 89' ' ' GLY . 0.8 OUTLIER -137.49 171.07 15.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.411 1.069 . . . . 0.0 109.281 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.433 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.3 m-85 -94.66 128.86 41.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.466 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 24.6 tt0 -136.18 127.56 17.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.223 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.92 158.36 99.02 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.027 -0.093 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -61.92 -39.59 92.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.71 145.65 48.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.922 HD11 HG21 ' A' ' 3' ' ' VAL . 11.5 tp -141.74 140.85 33.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.609 ' H ' HD12 ' A' ' 21' ' ' LEU . 9.8 t -129.39 143.13 50.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.827 HD12 ' HB2' ' A' ' 27' ' ' ASP . 15.2 pt -153.16 -175.15 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . 1.01 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 16.0 m -119.92 161.56 20.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 109.968 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.61 106.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.367 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.0 -8.24 8.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.827 ' HB2' HD12 ' A' ' 23' ' ' ILE . 6.6 m-20 -80.12 175.22 10.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.404 HG23 ' C ' ' A' ' 70' ' ' VAL . 28.9 m -128.72 157.65 40.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.521 HG13 ' CD2' ' A' ' 21' ' ' LEU . 61.9 t -136.45 109.6 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 5' ' ' ILE . 3.0 tm-20 -86.76 169.9 12.21 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 1.11 . . . . 0.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.492 ' CE2' HG21 ' A' ' 5' ' ' ILE . 38.2 m-85 -147.57 120.77 8.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.628 HG13 ' HG2' ' A' ' 6' ' ' LYS . 10.0 p -124.28 156.11 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.429 ' CG ' ' CD2' ' A' ' 39' ' ' HIS . 1.9 ttp -96.4 124.5 40.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.491 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.3 m120 -86.27 -62.0 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.16 -171.58 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.746 HG11 ' HG3' ' A' ' 14' ' ' PRO . 2.6 t 47.19 61.38 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.58 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -99.4 -173.25 31.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.593 1.183 . . . . 0.0 111.032 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -169.19 7.13 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.018 -0.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.58 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 75.8 m-70 -143.99 -169.93 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.63 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.9 OUTLIER 179.37 163.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 56' ' ' SER . 26.5 t -108.84 84.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.99 HD12 ' OG1' ' A' ' 83' ' ' THR . 22.8 mt -108.8 91.24 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -56.67 163.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 7.0 t0 -93.63 -50.11 5.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 1.1 mttt 167.83 147.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.91 HG13 ' HB2' ' A' ' 52' ' ' ALA . 15.0 m -128.31 158.26 71.94 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.425 1.75 . . . . 0.0 110.974 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.55 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.91 ' HB2' HG13 ' A' ' 46' ' ' VAL . . . -55.28 -52.79 68.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.793 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.92 51.02 2.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.55 1.816 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.55 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -157.9 -45.57 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.596 1.185 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.29 -31.05 69.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 1.5 m -44.09 129.36 6.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -127.8 86.07 2.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.457 ' CB ' HD11 ' A' ' 42' ' ' ILE . 9.7 t -57.8 -16.43 11.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 95.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.2 OUTLIER -67.53 96.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.838 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -83.5 102.61 12.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.475 HG23 ' N ' ' A' ' 63' ' ' ALA . 10.0 tp -72.87 -51.94 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.475 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -39.66 100.05 0.21 Allowed Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.08 131.68 14.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.2 -57.75 0.13 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.594 1.184 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.615 ' HA ' HG23 ' A' ' 32' ' ' VAL . 17.8 p 173.36 91.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.838 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 1.9 m-85 -37.63 -83.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -177.16 178.64 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.82 ' O ' HG13 ' A' ' 70' ' ' VAL . 11.4 t -125.74 -179.47 4.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.82 HG13 ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -168.83 141.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 27' ' ' ASP . 52.2 m -100.32 145.23 28.39 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 110.37 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.6 mt -120.16 173.05 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.85 -44.54 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.125 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.3 m -61.02 129.99 90.89 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 0.0 110.443 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.0 145.35 31.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.553 1.817 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.14 -179.89 20.33 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.8 t -107.89 122.3 46.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.79 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.573 ' CD2' HG11 ' A' ' 46' ' ' VAL . 30.2 m-85 -97.84 132.5 43.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -114.98 143.55 44.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.566 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 13.2 p90 -144.03 -176.28 4.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.386 1.054 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.535 ' CB ' HG12 ' A' ' 91' ' ' VAL . 14.9 p90 -172.91 152.75 2.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -83.99 140.88 31.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 108.324 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.99 ' OG1' HD12 ' A' ' 42' ' ' ILE . 1.2 m -77.9 -45.8 2.34 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.377 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -74.98 -38.45 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.593 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 31.5 m80 -105.67 45.25 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.632 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -79.08 -36.6 40.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.25 -24.03 25.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.18 -11.23 58.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.751 ' O ' HD12 ' A' ' 15' ' ' LEU . . . 82.53 71.25 1.31 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 16' ' ' TYR . 14.4 ttt -134.76 84.6 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.753 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.535 HG12 ' CB ' ' A' ' 81' ' ' TYR . 3.2 m -133.01 156.04 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.566 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -147.14 -171.51 16.4 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.445 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -152.28 156.73 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 0.717 . . . . 0.0 110.351 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.569 HG12 HD23 ' A' ' 21' ' ' LEU . 14.6 mt -138.8 134.88 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' ILE . 5.7 m -116.19 140.27 49.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.739 ' O ' HG12 ' A' ' 96' ' ' VAL . 4.2 t -124.8 74.83 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 1.01 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.9 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.852 HG21 HD11 ' A' ' 21' ' ' LEU . 35.5 m -111.81 167.24 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -131.78 147.28 52.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.571 ' HB ' ' CD1' ' A' ' 31' ' ' PHE . 14.3 mm -115.31 107.53 23.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.73 ' HG2' HG13 ' A' ' 32' ' ' VAL . 10.2 mttp -84.97 137.58 33.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.617 ' HB3' ' CD2' ' A' ' 39' ' ' HIS . 3.8 mpp? -99.98 110.31 22.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 101.35 162.39 27.31 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.882 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 2.8 p -124.69 156.67 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.424 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -61.14 -15.04 29.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.22 41.37 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 38.88 30.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.882 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -102.24 107.59 53.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.406 ' C ' ' SD ' ' A' ' 90' ' ' MET . 18.5 Cg_endo -75.06 78.08 3.0 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.686 HD23 ' HB1' ' A' ' 13' ' ' ALA . 2.2 pp -141.25 160.91 39.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.424 ' N ' ' HG3' ' A' ' 90' ' ' MET . 5.7 m-85 -77.09 139.85 40.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.514 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 22.6 tt0 -142.98 134.15 12.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.234 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.514 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.03 141.5 71.91 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 121.011 -2.496 . . . . 0.0 110.931 -0.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' PRO . 1.1 mttt -39.0 -36.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.34 150.41 49.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.852 HD11 HG21 ' A' ' 3' ' ' VAL . 12.7 tp -147.47 145.3 29.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.528 ' H ' HD12 ' A' ' 21' ' ' LEU . 7.9 t -130.55 144.87 51.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.545 HG13 HG22 ' A' ' 96' ' ' VAL . 15.5 pt -155.42 -175.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.706 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 7.8 m -123.64 164.4 19.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.047 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.19 106.04 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.31 -8.38 8.45 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.487 ' HB2' HD12 ' A' ' 23' ' ' ILE . 8.8 m-20 -80.02 174.01 12.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.3 m -122.68 150.61 42.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.405 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.949 HG11 HD13 ' A' ' 94' ' ' ILE . 75.3 t -129.68 92.28 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -71.75 168.19 18.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.319 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 5' ' ' ILE . 66.5 m-85 -146.41 125.77 13.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.843 HG23 ' HA ' ' A' ' 66' ' ' SER . 8.0 p -137.06 148.43 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.393 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.9 mtp -78.09 113.92 16.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -73.54 -67.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.738 ' C ' HG23 ' A' ' 36' ' ' VAL . 7.4 tttt -175.48 146.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.738 HG23 ' C ' ' A' ' 35' ' ' LYS . 2.8 t 85.4 69.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -99.13 -171.26 31.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 174.71 51.29 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.91 0.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.658 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 76.3 m80 -131.09 -171.14 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.628 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.432 ' ND2' HG12 ' A' ' 42' ' ' ILE . 27.6 p-10 -176.9 -166.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.4 t -143.05 89.82 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.397 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.846 HD13 ' HB3' ' A' ' 56' ' ' SER . 18.2 mm -120.95 97.67 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -64.64 160.48 19.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.451 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -89.67 -48.64 7.14 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER 166.87 145.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.831 HG22 ' HB2' ' A' ' 52' ' ' ALA . 21.0 m -127.72 158.27 70.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.556 1.819 . . . . 0.0 110.971 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.2 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.831 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -55.48 -52.95 67.53 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.8 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -74.99 50.94 2.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.453 1.765 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -159.46 -45.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.01 -27.15 66.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.846 ' HB3' HD13 ' A' ' 42' ' ' ILE . 1.8 m -48.72 111.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.026 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -106.56 120.48 42.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.479 ' O ' HD23 ' A' ' 60' ' ' LEU . 8.9 t -90.33 23.7 2.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.44 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -85.5 57.88 4.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -54.2 119.57 5.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.24 120.33 26.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.6 mm -69.47 -46.13 76.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.99 152.63 59.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 132.44 15.5 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.433 1.754 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 178.6 166.86 35.44 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.843 ' HA ' HG23 ' A' ' 32' ' ' VAL . 34.7 t -76.02 96.33 3.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 0.721 . . . . 0.0 110.074 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' SER . 6.0 m-85 -37.57 -86.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -167.94 174.27 7.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.52 150.69 43.66 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.525 1.14 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.478 HG23 HD21 ' A' ' 72' ' ' LEU . 32.0 m -145.67 136.4 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.572 ' C ' HD22 ' A' ' 72' ' ' LEU . 2.7 m -92.34 128.25 38.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.096 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -102.57 173.68 6.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.57 -51.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 1.0 OUTLIER -46.74 124.96 8.01 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 0.0 110.385 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.02 141.4 26.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.54 1.811 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.79 -179.24 19.43 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.1 t -103.68 121.54 43.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 0.741 . . . . 0.0 110.451 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.8 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.9 m-85 -97.7 135.1 39.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p -114.17 148.44 37.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.177 . . . . 0.0 110.002 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.489 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 1.9 p90 -153.03 174.74 13.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.969 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.559 ' CB ' HG12 ' A' ' 91' ' ' VAL . 16.3 p90 -164.01 157.43 18.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.392 1.058 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.25 131.13 35.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.593 1.183 . . . . 0.0 108.271 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.52 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -62.78 -50.58 76.97 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.5 Cg_endo -74.87 -49.01 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.5 1.789 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -88.05 44.48 1.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.639 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -81.63 -38.97 25.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.4 -30.47 16.17 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.26 -14.75 61.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 0.789 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 85.67 86.83 0.98 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.459 ' CG ' ' HA ' ' A' ' 15' ' ' LEU . 8.0 ttt -148.42 78.42 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 0.717 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.559 HG12 ' CB ' ' A' ' 81' ' ' TYR . 15.8 m -124.25 146.76 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.489 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -138.96 175.04 21.8 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.486 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 1.2 m -138.58 158.68 43.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 110.431 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.949 HD13 HG11 ' A' ' 29' ' ' VAL . 94.1 mt -146.13 128.0 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' ILE . 92.7 m -108.78 145.67 34.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.391 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.733 ' O ' HG12 ' A' ' 96' ' ' VAL . 3.1 t -128.82 77.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.706 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.878 HG21 HD11 ' A' ' 21' ' ' LEU . 2.6 m -115.18 177.35 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -144.86 158.58 43.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -133.45 125.53 50.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 0.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.401 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 16.0 mttp -97.46 122.42 40.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.588 1.18 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.811 ' HE3' ' CE1' ' A' ' 16' ' ' TYR . 8.1 mtp -87.9 100.39 12.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.45 148.29 9.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.567 HG21 HD11 ' A' ' 15' ' ' LEU . 1.7 p -113.21 161.53 17.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 0.0 110.365 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.11 -13.19 33.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.45 ' HG3' ' CB ' ' A' ' 13' ' ' ALA . 4.9 ptpt -90.66 38.37 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 37.86 33.39 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.45 ' CB ' ' HG3' ' A' ' 11' ' ' LYS . . . -112.09 118.06 46.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.452 ' HG3' HG21 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -75.02 97.8 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.567 HD11 HG21 ' A' ' 9' ' ' THR . 1.3 pp -149.29 151.89 34.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.811 ' CE1' ' HE3' ' A' ' 7' ' ' MET . 27.7 m-85 -77.24 132.59 38.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 6.6 tt0 -132.83 131.18 21.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -75.01 158.47 98.97 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.035 0.031 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -39.62 62.32 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.71 147.56 48.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.878 HD11 HG21 ' A' ' 3' ' ' VAL . 8.4 tp -142.01 141.05 32.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.225 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.724 ' H ' HD12 ' A' ' 21' ' ' LEU . 9.7 t -129.93 143.21 50.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.804 HD12 ' HB2' ' A' ' 27' ' ' ASP . 11.6 pt -153.7 -174.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.379 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 p -122.9 171.18 9.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.579 1.174 . . . . 0.0 110.038 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.37 101.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.73 -4.13 7.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.804 ' HB2' HD12 ' A' ' 23' ' ' ILE . 9.8 m-20 -82.73 175.83 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 0.729 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.4 m -129.86 157.01 43.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.373 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.824 HG11 HD13 ' A' ' 94' ' ' ILE . 48.1 t -134.98 107.67 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -89.02 148.25 23.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 0.0 110.254 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.411 ' N ' ' OE2' ' A' ' 30' ' ' GLU . 61.6 m-85 -126.36 122.4 35.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.873 HG23 ' CB ' ' A' ' 66' ' ' SER . 2.2 p -128.08 139.2 52.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.363 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 45.7 mtp -86.49 113.44 22.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.34 -67.59 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.506 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -166.93 -164.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 35' ' ' LYS . 7.9 p 46.41 58.86 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.576 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -92.69 -171.64 40.78 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.453 ' HB3' HD13 ' A' ' 62' ' ' ILE . 18.3 Cg_endo -75.03 -171.2 9.06 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.94 0.058 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.576 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 90.1 m-70 -145.48 -171.34 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.635 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.543 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 38.1 p-10 179.77 -154.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 57' ' ' ASN . 90.0 t -152.93 98.51 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.573 HD13 ' HB2' ' A' ' 56' ' ' SER . 18.3 mm -120.03 77.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.453 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 96.7 m-85 -45.38 155.92 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 7.1 t0 -87.64 -54.23 4.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 3.2 mttp 169.32 147.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.062 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.925 ' HB ' ' HB2' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -128.07 163.09 46.08 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.872 ' HD2' HG22 ' A' ' 46' ' ' VAL . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.11 0 O-C-N 124.585 1.834 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.584 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.925 ' HB2' ' HB ' ' A' ' 46' ' ' VAL . . . -54.73 -52.62 68.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.248 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.786 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.03 51.17 2.73 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 110.995 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.584 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -157.65 -45.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.09 -17.17 64.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.241 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.573 ' HB2' HD13 ' A' ' 42' ' ' ILE . 2.0 p -53.59 148.13 10.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.973 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -115.53 112.39 22.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.2 t -90.3 23.63 2.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.407 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -108.82 74.59 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -50.75 113.85 1.01 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.74 110.69 15.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.453 HD13 ' HB3' ' A' ' 38' ' ' PRO . 40.4 mm -74.23 -50.41 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . . . -74.07 140.31 76.87 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 63' ' ' ALA . 18.1 Cg_endo -74.99 147.9 34.59 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.408 ' C ' ' HG ' ' A' ' 66' ' ' SER . . . 172.34 -110.37 0.34 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.873 ' CB ' HG23 ' A' ' 32' ' ' VAL . 2.5 m -168.3 106.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 0.741 . . . . 0.0 109.997 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.543 ' CZ ' ' HA ' ' A' ' 40' ' ' ASN . 24.0 m-85 -39.88 -87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.625 1.203 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.45 ' CE2' ' ND2' ' A' ' 57' ' ' ASN . 11.3 p90 -178.4 -178.08 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.45 159.21 21.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -150.19 143.43 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.2 m -98.99 141.7 31.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.8 mt -113.87 171.43 7.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -152.93 -50.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.412 ' HB ' ' OH ' ' A' ' 78' ' ' TYR . 1.2 m -50.96 126.56 25.48 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.45 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 141.38 26.65 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.07 -178.51 20.14 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 52.5 m -104.02 118.73 37.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.785 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.903 ' CD2' HG21 ' A' ' 46' ' ' VAL . 7.1 m-85 -91.82 134.18 34.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p -119.32 147.3 44.46 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.456 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 12.2 p90 -154.66 -170.78 3.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.484 ' HB3' HG12 ' A' ' 91' ' ' VAL . 8.2 p90 -178.82 169.57 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.56 151.27 21.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 108.274 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.45 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -76.56 -54.88 1.71 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.382 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.45 ' HD3' ' CB ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.04 -46.35 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.575 1.829 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.411 ' CG ' ' HB2' ' A' ' 14' ' ' PRO . 53.0 m-70 -86.47 48.04 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.564 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -84.77 -23.71 29.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -102.42 -22.93 9.28 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.73 -12.31 58.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.17 53.9 3.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.521 ' HE1' ' HB3' ' A' ' 7' ' ' MET . 8.1 ttt -111.74 75.42 0.92 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.578 0.81 . . . . 0.0 111.075 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.484 HG12 ' HB3' ' A' ' 81' ' ' TYR . 17.4 m -122.43 147.67 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.456 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -142.24 -175.64 15.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.431 ' N ' ' CE1' ' A' ' 80' ' ' PHE . 1.6 m -149.95 160.91 43.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 110.351 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.824 HD13 HG11 ' A' ' 29' ' ' VAL . 81.7 mt -147.88 117.86 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 23' ' ' ILE . 18.6 m -101.49 146.01 28.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.756 ' O ' HG12 ' A' ' 96' ' ' VAL . 3.9 t -127.35 74.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.782 ' HG3' ' OXT' ' A' ' 97' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.877 HG21 HD11 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -109.32 175.77 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.409 1.068 . . . . 0.0 109.249 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -141.65 159.33 42.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.331 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.524 ' HB ' ' CD2' ' A' ' 31' ' ' PHE . 9.2 mm -126.09 112.65 30.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.381 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.616 ' HG2' HG13 ' A' ' 32' ' ' VAL . 4.0 mtmt -91.13 136.42 33.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.497 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 9.5 mtm -105.38 98.2 7.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.432 1.083 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.05 149.61 8.39 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.547 1.154 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.751 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 6.7 p -115.4 152.07 33.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -58.67 -16.56 16.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -90.09 40.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' LYS . 76.6 m-85 37.7 51.89 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.587 1.18 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.751 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -130.94 116.92 17.04 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.44 ' HB2' ' CG ' ' A' ' 85' ' ' HIS . 18.1 Cg_endo -75.06 91.47 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.53 1.805 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.711 HD11 HG21 ' A' ' 9' ' ' THR . 2.7 pp -146.06 153.95 41.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.497 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 17.0 m-85 -80.13 125.27 29.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 43.8 tt0 -129.88 130.46 23.16 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.04 152.0 97.59 Favored 'Cis proline' 0 C--N 1.361 1.212 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.023 0.06 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -61.12 -36.81 80.74 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.429 1.081 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 19' ' ' LYS . . . -117.67 140.73 49.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.877 HD11 HG21 ' A' ' 3' ' ' VAL . 12.7 tp -145.39 143.03 29.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.508 ' H ' HD12 ' A' ' 21' ' ' LEU . 10.6 t -130.65 142.94 50.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.581 HG13 HG22 ' A' ' 96' ' ' VAL . 30.6 pt -151.82 -175.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.9 m -121.63 165.42 15.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.44 106.18 0.88 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.13 -8.56 8.52 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.436 1.085 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.501 ' HB2' HD12 ' A' ' 23' ' ' ILE . 6.2 m-20 -80.47 173.7 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.47 HG23 ' C ' ' A' ' 70' ' ' VAL . 36.1 m -126.85 158.8 35.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.773 HG11 ' CD1' ' A' ' 94' ' ' ILE . 71.6 t -136.21 112.17 12.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 5' ' ' ILE . 39.7 tt0 -88.32 167.96 13.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.524 ' CD2' ' HB ' ' A' ' 5' ' ' ILE . 80.1 m-85 -146.21 121.05 9.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 111.059 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.616 HG13 ' HG2' ' A' ' 6' ' ' LYS . 9.7 p -124.25 151.29 29.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.1 ttp -95.96 116.02 28.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.441 ' C ' ' HG3' ' A' ' 35' ' ' LYS . 1.7 m120 -74.82 -70.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.721 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -167.49 -167.05 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.721 HG12 ' O ' ' A' ' 35' ' ' LYS . 7.6 p 50.43 41.05 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.621 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -80.02 -171.11 42.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -166.76 5.13 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.997 0.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.621 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 82.5 m-70 -148.18 -170.58 3.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.664 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.568 ' ND2' HD12 ' A' ' 42' ' ' ILE . 10.1 p-10 -171.5 -178.63 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.6 t -132.69 88.73 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.568 HD12 ' ND2' ' A' ' 40' ' ' ASN . 70.0 mt -120.09 103.26 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.412 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 97.5 m-85 -68.94 157.59 36.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -85.45 -49.5 8.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.229 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER 167.25 149.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.97 HG11 ' CD2' ' A' ' 78' ' ' TYR . 28.4 m -128.71 158.66 71.47 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.197 0 O-C-N 124.53 1.805 . . . . 0.0 111.001 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.0 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.904 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -50.71 -51.87 61.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -74.99 50.76 2.61 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.18 -45.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.0 mt -69.34 -30.77 68.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 m -44.11 167.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.377 1.048 . . . . 0.0 109.966 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -169.8 110.63 0.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.133 . . . . 0.0 109.353 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 t -89.31 38.93 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.17 . . . . 0.0 110.402 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -98.63 72.02 1.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.39 108.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.601 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -99.33 107.31 19.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ALA . 7.4 tp -69.42 -47.58 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -39.9 100.23 0.21 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 62' ' ' ILE . 18.3 Cg_endo -74.93 132.03 15.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.441 1.759 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.498 ' O ' HG23 ' A' ' 32' ' ' VAL . . . 172.9 -79.46 0.08 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.113 . . . . 0.0 111.046 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.525 ' HA ' HG23 ' A' ' 32' ' ' VAL . 5.1 m -168.43 97.03 0.41 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.581 0.812 . . . . 0.0 109.991 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.601 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 5.1 m-85 -43.43 -85.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -175.91 177.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.8 ' O ' HG13 ' A' ' 70' ' ' VAL . 11.4 t -123.68 -179.4 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.8 HG13 ' O ' ' A' ' 69' ' ' SER . 2.7 m -163.25 139.31 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.478 ' C ' HD22 ' A' ' 72' ' ' LEU . 24.2 m -96.55 118.74 33.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.606 HD22 ' N ' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -98.92 173.53 6.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.684 ' O ' HG11 ' A' ' 96' ' ' VAL . . . -155.07 -59.93 0.01 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.407 ' HB ' ' OH ' ' A' ' 78' ' ' TYR . 1.2 m -38.85 131.56 1.13 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.596 0.821 . . . . 0.0 110.48 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 147.09 33.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 135.18 -178.77 18.31 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.576 1.173 . . . . 0.0 110.964 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.1 m -107.93 119.21 38.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 110.392 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.97 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.9 m-85 -93.99 133.6 37.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 p -116.73 148.64 40.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.564 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 6.7 p90 -151.27 -174.9 4.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.411 ' CZ ' HG22 ' A' ' 42' ' ' ILE . 17.3 p90 -170.82 164.68 7.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.23 150.82 23.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.228 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.487 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.6 OUTLIER -79.12 -52.46 1.19 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.0 Cg_endo -75.04 -46.91 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.44 ' CG ' ' HB2' ' A' ' 14' ' ' PRO . 67.6 m-70 -89.51 49.16 1.7 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.557 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -83.33 -31.1 27.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.367 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.77 -21.53 18.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.13 -13.4 61.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 0.728 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.91 60.23 1.98 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.552 1.158 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.43 ' CG ' ' HA ' ' A' ' 15' ' ' LEU . 8.7 ttt -119.18 81.42 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.776 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.493 HG12 ' H ' ' A' ' 92' ' ' GLY . 0.8 OUTLIER -112.2 176.84 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.564 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -170.23 176.9 43.76 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.463 ' N ' ' CE1' ' A' ' 80' ' ' PHE . 1.7 m -153.15 162.03 41.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.773 ' CD1' HG11 ' A' ' 29' ' ' VAL . 56.1 mt -151.65 122.64 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' ILE . 95.7 m -104.22 146.6 28.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.387 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.752 ' O ' HG12 ' A' ' 96' ' ' VAL . 4.1 t -126.71 74.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 23' ' ' ILE . 1.9 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.234 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.832 HG21 HD11 ' A' ' 21' ' ' LEU . 32.0 m -110.18 176.78 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -146.47 158.42 43.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.578 HD13 ' HD2' ' A' ' 18' ' ' PRO . 11.7 mm -123.42 111.65 30.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.58 ' HG2' HG13 ' A' ' 32' ' ' VAL . 7.0 mttp -89.14 142.36 27.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.421 ' HE1' ' HB3' ' A' ' 31' ' ' PHE . 12.5 mtm -110.28 100.13 9.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.07 154.74 11.2 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.847 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 2.0 p -117.88 156.54 28.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -58.28 -17.03 16.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.605 1.19 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 13' ' ' ALA . 9.2 mttt -90.12 41.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 38.25 30.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.847 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -101.58 112.49 65.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.604 ' HG3' HG11 ' A' ' 36' ' ' VAL . 18.3 Cg_endo -75.0 82.87 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.423 1.749 . . . . 0.0 111.058 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.475 HD23 ' HB1' ' A' ' 13' ' ' ALA . 3.7 pp -141.05 156.63 45.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.511 ' CD2' ' HG2' ' A' ' 90' ' ' MET . 9.4 m-85 -78.31 137.92 38.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.486 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 8.9 tt0 -142.34 131.37 11.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.578 ' HD2' HD13 ' A' ' 5' ' ' ILE . 18.5 Cg_endo -74.94 150.48 95.52 Favored 'Cis proline' 0 C--N 1.361 1.207 0 C-N-CA 121.032 -2.487 . . . . 0.0 110.996 -0.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -47.45 -40.07 17.23 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.573 1.171 . . . . 0.0 109.278 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.38 152.04 46.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.832 HD11 HG21 ' A' ' 3' ' ' VAL . 8.7 tp -144.69 143.54 30.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.759 ' H ' HD12 ' A' ' 21' ' ' LEU . 10.1 t -128.06 142.92 51.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.561 HG13 HG22 ' A' ' 96' ' ' VAL . 20.5 pt -152.84 -175.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.587 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 13.7 m -118.71 173.34 6.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 110.081 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.25 104.09 3.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.91 -5.2 9.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.468 ' HB2' HD12 ' A' ' 23' ' ' ILE . 17.2 m-20 -81.93 173.11 12.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.448 HG23 ' C ' ' A' ' 70' ' ' VAL . 32.4 m -123.09 158.24 31.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.445 1.091 . . . . 0.0 110.436 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.053 HG11 ' CD1' ' A' ' 94' ' ' ILE . 73.8 t -134.22 104.54 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 5' ' ' ILE . 3.3 tt0 -79.89 167.45 20.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.642 ' CE1' HG12 ' A' ' 29' ' ' VAL . 60.9 m-85 -147.51 127.97 14.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.672 HG23 ' HA ' ' A' ' 66' ' ' SER . 7.4 p -134.43 154.32 37.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 61' ' ' ALA . 16.9 mtp -98.96 110.32 22.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -69.36 -68.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.442 ' O ' ' NE2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -166.56 -167.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.087 . . . . 0.0 109.342 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.604 HG11 ' HG3' ' A' ' 14' ' ' PRO . 1.9 t 49.22 50.3 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.574 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -99.09 -167.57 30.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.158 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.447 ' HG3' ' CD1' ' A' ' 62' ' ' ILE . 18.3 Cg_endo -74.98 178.92 32.53 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.961 -2.516 . . . . 0.0 111.023 -0.106 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.574 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 33.7 m-70 -134.26 -171.05 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 2.1 p30 -175.56 166.55 3.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.437 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 92.6 t -109.46 108.55 25.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.572 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 4.5 mm -129.47 76.26 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CE1' ' CG1' ' A' ' 41' ' ' VAL . 75.7 m-85 -48.68 168.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.45 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 8.6 t0 -104.79 -50.15 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER 167.94 142.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.907 HG11 ' CD2' ' A' ' 78' ' ' TYR . 5.3 m -127.71 154.71 77.87 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.681 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.837 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -77.17 -52.72 1.8 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.785 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -74.98 0.43 8.9 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.545 1.813 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.681 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -105.7 -35.93 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.2 mt -67.79 -39.95 83.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.12 126.5 14.7 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -127.83 130.46 48.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 t -89.5 20.16 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -88.31 65.14 7.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 39' ' ' HIS . 0.2 OUTLIER -54.93 131.38 44.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.4 ' O ' ' SD ' ' A' ' 33' ' ' MET . . . -91.32 123.54 34.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.447 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 5.8 mm -84.81 -45.39 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.419 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . . . -78.4 142.93 63.35 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 63' ' ' ALA . 18.2 Cg_endo -75.11 176.28 10.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.432 1.754 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.413 ' O ' HG23 ' A' ' 32' ' ' VAL . . . 138.26 -85.94 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.539 1.15 . . . . 0.0 111.015 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.672 ' HA ' HG23 ' A' ' 32' ' ' VAL . 22.3 p 178.4 106.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 0.757 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 66' ' ' SER . 1.0 OUTLIER -37.32 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.7 p90 177.68 173.95 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.424 ' CB ' ' HG3' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -116.37 155.46 28.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.056 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.448 ' C ' HG23 ' A' ' 28' ' ' THR . 0.6 OUTLIER -148.3 138.89 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.338 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 76.2 m -104.74 150.56 24.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.4 mt -117.28 170.95 8.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -156.63 34.35 0.58 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.452 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 47.0 m -151.38 135.52 9.68 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.642 0.848 . . . . 0.0 110.377 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.6 Cg_endo -74.94 151.43 39.85 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.426 1.751 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.63 -179.77 18.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.8 t -109.08 126.91 53.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.609 0.829 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.907 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.7 m-85 -106.92 131.05 54.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.9 t -110.8 163.44 13.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.576 ' CZ ' ' N ' ' A' ' 93' ' ' THR . 5.5 p90 -171.51 175.83 3.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.572 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 9.1 p90 -154.59 -173.18 4.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.526 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 9.9 t -133.47 96.13 3.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.462 1.101 . . . . 0.0 108.236 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.518 ' C ' ' O ' ' A' ' 82' ' ' CYS . 0.8 OUTLIER -28.99 -57.48 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.408 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.628 ' HB2' ' CE1' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -74.93 131.98 15.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.068 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.628 ' CE1' ' HB2' ' A' ' 84' ' ' PRO . 0.4 OUTLIER 80.3 -4.02 1.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.623 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 87' ' ' GLY . 17.7 ptt180 -41.31 -46.06 3.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.59 1.181 . . . . 0.0 110.313 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.428 ' N ' ' HG3' ' A' ' 86' ' ' ARG . . . -65.05 -36.81 93.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -63.15 -13.5 37.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.96 85.93 1.41 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.511 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 3.9 ttt -138.42 84.86 2.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 0.752 . . . . 0.0 111.092 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.5 m -120.74 159.82 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.233 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.475 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -156.24 172.6 34.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.614 1.196 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.576 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 2.5 m -153.72 163.47 39.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 0.734 . . . . 0.0 110.448 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.053 ' CD1' HG11 ' A' ' 29' ' ' VAL . 69.4 mt -148.63 129.44 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' ILE . 87.3 m -111.7 146.44 37.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.677 ' O ' HG12 ' A' ' 96' ' ' VAL . 20.3 t -125.0 73.04 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.587 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 1.1 mm-40 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.873 HG21 HD21 ' A' ' 21' ' ' LEU . 26.3 m -109.7 177.59 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.27 157.97 43.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.47 ' HA ' HD13 ' A' ' 5' ' ' ILE . 4.1 mm -120.79 116.94 51.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.581 ' HG2' HG13 ' A' ' 32' ' ' VAL . 2.4 mtmp? -96.17 139.12 32.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.566 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 18.6 mtm -112.85 111.69 22.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.38 142.33 13.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.879 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 1.4 p -101.78 156.12 17.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 110.338 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -54.52 -19.7 6.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -89.4 40.49 0.99 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.407 ' C ' HG21 ' A' ' 36' ' ' VAL . 81.3 m-85 39.21 29.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.879 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -100.06 120.73 56.06 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.471 ' CD ' HG11 ' A' ' 36' ' ' VAL . 18.1 Cg_endo -75.16 103.19 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.728 HD11 ' CG2' ' A' ' 9' ' ' THR . 2.2 pp -163.21 149.46 12.1 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.444 1.09 . . . . 0.0 109.204 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.566 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 19.2 m-85 -79.71 131.69 36.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -125.24 126.02 25.18 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 176.09 44.9 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.076 -0.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -37.45 86.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.52 156.97 44.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.873 HD21 HG21 ' A' ' 3' ' ' VAL . 13.1 tp -146.9 147.17 30.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.627 ' H ' HD12 ' A' ' 21' ' ' LEU . 8.3 t -131.2 144.03 51.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.07 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.594 HD13 HG23 ' A' ' 29' ' ' VAL . 23.8 pt -153.79 -174.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.411 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 14.7 m -121.03 162.62 19.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.02 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.41 105.94 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.362 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.98 -8.31 8.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.402 ' HB2' HD12 ' A' ' 23' ' ' ILE . 5.0 m-20 -81.47 172.11 13.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 m -121.02 156.54 31.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.469 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.787 HG11 HD13 ' A' ' 94' ' ' ILE . 77.4 t -136.79 110.99 9.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 5' ' ' ILE . 21.6 tt0 -85.5 167.42 15.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.495 ' CE1' HG12 ' A' ' 29' ' ' VAL . 43.4 m-85 -143.39 118.01 9.8 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.86 HG23 ' HA ' ' A' ' 66' ' ' SER . 5.2 p -122.79 148.3 26.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.416 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 5.5 mtp -98.53 118.73 35.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.46 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.5 m120 -78.61 -65.77 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.28 -168.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.525 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 4.4 t 64.17 22.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.474 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -80.68 -171.39 44.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.552 1.157 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.06 166.34 83.52 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.968 0.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.525 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 58.8 m-70 -130.26 -147.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.56 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 172.52 -175.05 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 t -130.46 96.46 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.56 HG22 ' CE1' ' A' ' 81' ' ' TYR . 1.4 mm -121.07 90.49 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -54.14 161.06 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -97.51 -51.96 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 109.375 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.7 mttt 171.88 155.93 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.075 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.959 HG21 ' CD2' ' A' ' 78' ' ' TYR . 0.5 OUTLIER -134.44 163.67 49.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.853 ' HD2' HG22 ' A' ' 46' ' ' VAL . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.8 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.873 ' HB2' ' HB ' ' A' ' 46' ' ' VAL . . . -49.65 -51.49 59.12 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.762 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.01 50.74 2.61 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.582 1.833 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.46 -45.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.226 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.0 mt -66.61 -28.5 68.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.7 m -43.15 146.96 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -138.75 110.34 7.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.3 t -90.23 35.06 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.09 64.3 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -48.66 116.7 1.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.235 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.42 115.2 23.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.468 ' CB ' ' HB3' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -76.95 -41.11 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -44.72 109.01 0.81 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 130.07 12.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.23 38.96 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.86 ' HA ' HG23 ' A' ' 32' ' ' VAL . 34.1 t 61.31 94.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 0.801 . . . . 0.0 109.982 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.416 ' CD2' ' HG3' ' A' ' 33' ' ' MET . 0.4 OUTLIER -37.54 -79.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.1 p90 179.71 177.9 0.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 111.036 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.9 ' O ' HG13 ' A' ' 70' ' ' VAL . 12.6 t -126.87 179.81 5.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.9 HG13 ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -171.93 139.13 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.27 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 79.6 m -95.76 152.01 18.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.0 mt -120.1 170.98 8.8 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -158.65 37.95 0.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.153 . . . . 0.0 111.001 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.445 ' O ' HG11 ' A' ' 96' ' ' VAL . 16.1 m -149.14 135.9 10.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.749 . . . . 0.0 110.383 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -74.99 147.21 33.64 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.393 1.733 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.66 -178.95 19.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.418 ' CG2' HG22 ' A' ' 93' ' ' THR . 39.2 m -113.43 116.25 29.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 110.439 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.959 ' CD2' HG21 ' A' ' 46' ' ' VAL . 63.7 m-85 -90.06 127.67 36.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.23 139.7 49.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.614 ' N ' ' CD1' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -143.04 173.23 11.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CD1' ' HD2' ' A' ' 86' ' ' ARG . 6.1 p90 -159.71 166.33 30.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.77 149.28 27.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.262 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.473 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -78.91 -53.08 1.18 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.48 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.0 Cg_endo -75.11 -39.72 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.461 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 48.9 m80 -93.57 35.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.624 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -72.24 -11.22 60.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -112.18 -28.19 3.67 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.461 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . . . -62.96 -27.8 69.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.94 58.66 0.87 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.544 1.152 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 14' ' ' PRO . 4.7 mtp -115.55 86.14 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.482 HG12 ' HB3' ' A' ' 81' ' ' TYR . 30.4 m -120.67 161.81 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.568 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -149.51 153.47 25.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.418 HG22 ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -126.99 154.18 44.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.358 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.787 HD13 HG11 ' A' ' 29' ' ' VAL . 78.8 mt -149.09 126.17 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 23' ' ' ILE . 90.2 m -105.93 144.66 32.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.351 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.735 ' O ' HG12 ' A' ' 96' ' ' VAL . 6.0 t -127.32 72.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.245 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.961 HG21 HD11 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -115.27 174.1 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -146.29 145.31 30.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.507 ' HA ' HD13 ' A' ' 5' ' ' ILE . 3.3 mm -105.5 110.31 30.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.348 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.656 ' HG2' HG13 ' A' ' 32' ' ' VAL . 2.1 mtmt -85.75 141.17 29.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.411 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 1.8 mpp? -115.99 104.87 12.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 111.03 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 104.48 135.33 8.4 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.796 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 5.0 p -92.11 159.21 15.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 0.803 . . . . 0.0 110.458 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -62.84 -12.93 27.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -90.98 31.17 1.11 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 47.6 34.57 3.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.092 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.796 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -110.18 124.95 32.06 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 105.8 2.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.422 1.748 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.27 170.11 21.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 7' ' ' MET . 9.2 m-85 -100.72 125.6 47.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -122.56 125.72 26.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.232 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 174.35 53.12 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.983 -0.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -63.86 -37.49 87.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.15 151.38 51.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.961 HD11 HG21 ' A' ' 3' ' ' VAL . 13.1 tp -139.45 139.43 37.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.424 1.077 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.529 ' H ' HD12 ' A' ' 21' ' ' LEU . 14.1 t -128.79 141.84 51.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.662 HD12 ' HB2' ' A' ' 27' ' ' ASP . 13.3 pt -152.22 -175.71 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.8 m -120.27 159.81 24.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.55 105.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.44 -8.02 8.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.662 ' HB2' HD12 ' A' ' 23' ' ' ILE . 6.3 m-20 -82.24 173.08 12.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 0.791 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.6 m -122.61 153.91 38.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 110.352 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.549 HG23 HD13 ' A' ' 23' ' ' ILE . 89.8 t -134.3 105.52 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -80.21 170.08 16.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -144.74 114.12 7.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.656 HG13 ' HG2' ' A' ' 6' ' ' LYS . 9.4 p -118.02 146.2 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.082 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.1 ttp -97.31 119.51 35.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.5 m120 -78.57 -66.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.457 ' HG2' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -175.92 -168.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.518 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 3.8 t 65.42 21.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.511 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -75.18 -176.08 37.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.749 ' HB3' HD13 ' A' ' 62' ' ' ILE . 18.4 Cg_endo -74.88 171.68 66.75 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.066 -2.472 . . . . 0.0 111.03 -0.135 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.548 ' O ' HD23 ' A' ' 60' ' ' LEU . 75.2 m-70 -136.66 -150.22 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.582 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.466 ' ND2' HD12 ' A' ' 42' ' ' ILE . 9.6 p-10 -178.73 178.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.748 ' O ' HG12 ' A' ' 41' ' ' VAL . 50.2 t -131.14 54.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.712 HD12 ' OG1' ' A' ' 83' ' ' THR . 61.2 mt -82.52 93.87 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.539 ' CE2' HG12 ' A' ' 41' ' ' VAL . 91.3 m-85 -61.98 147.62 46.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.4 t70 -74.58 -55.67 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 52' ' ' ALA . 5.1 mttt 166.6 148.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.937 HG13 ' HB2' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -121.25 173.06 4.21 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.432 ' O ' HG23 ' A' ' 46' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.538 1.81 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.513 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.937 ' HB2' HG13 ' A' ' 46' ' ' VAL . . . -48.41 -49.94 60.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.07 51.03 2.7 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.398 1.736 . . . . 0.0 110.94 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.513 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -157.22 -45.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.2 -34.81 71.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.52 1.138 . . . . 0.0 109.254 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.63 136.96 38.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 57' ' ' ASN . 23.6 p-10 -138.21 104.9 5.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.591 ' HA ' HD11 ' A' ' 42' ' ' ILE . 9.0 t -66.18 -18.42 65.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.383 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.6 tttt -53.21 91.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 39' ' ' HIS . 4.9 mt -57.9 108.9 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 109.232 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.82 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -70.76 100.58 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.749 HD13 ' HB3' ' A' ' 38' ' ' PRO . 18.4 mm -74.93 -53.34 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.81 111.45 4.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.22 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 163.66 34.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.22 -62.99 0.45 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.422 1.076 . . . . 0.0 111.032 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.05 101.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 0.747 . . . . 0.0 109.948 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.82 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 1.8 m-85 -38.23 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.1 p90 173.23 173.38 0.13 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.499 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -116.94 157.04 26.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 110.001 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 69' ' ' SER . 2.6 m -153.89 138.45 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.437 ' C ' HD22 ' A' ' 72' ' ' LEU . 1.9 m -94.37 127.3 40.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.422 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -101.65 171.94 7.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.547 ' O ' HG11 ' A' ' 96' ' ' VAL . . . -151.8 -64.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.1 m -39.14 129.0 1.27 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.0 Cg_endo -75.08 141.49 26.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.454 1.765 . . . . 0.0 111.001 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.58 -178.27 23.44 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.3 m -110.42 111.77 23.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.439 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.649 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.0 m-85 -83.97 136.63 33.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.84 139.38 53.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.941 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.627 ' N ' ' CD1' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -140.39 169.51 17.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.826 ' HB3' HG12 ' A' ' 91' ' ' VAL . 7.8 p90 -158.76 161.15 36.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -81.09 151.06 28.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 108.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.712 ' OG1' HD12 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -79.79 -54.08 0.94 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.02 -40.66 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.581 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 49.0 m80 -92.04 35.01 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.458 ' HD2' ' CE1' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -68.55 -19.32 64.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -104.68 -26.74 6.31 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.581 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . . . -63.47 -22.89 67.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 0.729 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.17 54.39 1.87 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.4 mtp -109.03 81.47 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.58 0.812 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.826 HG12 ' HB3' ' A' ' 81' ' ' TYR . 27.3 m -130.06 146.78 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.551 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -128.54 -168.29 12.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.108 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.577 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -155.32 146.05 22.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.409 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.715 HG12 HD23 ' A' ' 21' ' ' LEU . 18.1 mt -139.31 123.5 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 23' ' ' ILE . 25.4 m -104.63 142.64 34.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.419 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.736 ' O ' HG12 ' A' ' 96' ' ' VAL . 3.3 t -127.72 76.5 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.363 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.863 HG21 HD11 ' A' ' 21' ' ' LEU . 12.4 m -116.42 177.28 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -146.53 159.39 43.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.473 ' HA ' HD13 ' A' ' 5' ' ' ILE . 8.7 mm -122.49 117.49 52.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.546 ' HG2' HG13 ' A' ' 32' ' ' VAL . 5.1 mttt -97.72 135.65 39.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.571 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 10.6 mtm -108.96 99.79 9.07 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.56 1.162 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.51 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 109.72 140.54 8.81 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.776 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 2.1 p -101.73 160.72 14.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.359 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.62 -18.09 10.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' ALA . 5.4 mtmt -89.86 39.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 37.99 29.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.776 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -99.72 119.28 60.26 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.473 ' HG3' HG21 ' A' ' 36' ' ' VAL . 18.3 Cg_endo -75.0 95.97 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.617 1.851 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.713 HD11 ' CG2' ' A' ' 9' ' ' THR . 3.0 pp -153.72 150.31 28.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.571 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 7.4 m-85 -79.99 128.72 33.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.545 ' OE1' HG22 ' A' ' 9' ' ' THR . 22.4 tt0 -127.28 128.75 24.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.98 161.42 94.88 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.044 -0.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -53.06 -39.32 63.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.81 153.46 48.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.863 HD11 HG21 ' A' ' 3' ' ' VAL . 9.0 tp -144.17 142.98 30.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.862 ' HA ' HG22 ' A' ' 95' ' ' THR . 20.4 t -130.41 140.71 50.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.573 HG13 HG22 ' A' ' 96' ' ' VAL . 14.1 pt -148.07 -174.53 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.997 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 7.3 m -123.87 169.86 11.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.58 105.39 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.351 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.0 -7.63 9.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.436 1.085 . . . . 0.0 111.069 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.42 ' HB2' HD12 ' A' ' 23' ' ' ILE . 5.1 m-20 -83.07 171.65 13.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 0.786 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.495 HG23 ' C ' ' A' ' 70' ' ' VAL . 27.0 m -127.0 157.55 39.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.72 HG11 HD13 ' A' ' 94' ' ' ILE . 45.3 t -135.13 113.52 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.8 OUTLIER -83.89 167.03 17.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -141.92 128.6 20.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.752 HG23 ' HA ' ' A' ' 66' ' ' SER . 4.3 p -136.8 148.92 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.37 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -98.96 123.93 43.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.4 m120 -81.09 -63.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.523 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -175.1 -163.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.358 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.606 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 11.3 p 47.08 52.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.462 ' HA2' ' NE2' ' A' ' 39' ' ' HIS . . . -108.91 -160.89 19.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.522 1.138 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.483 ' CB ' HD13 ' A' ' 62' ' ' ILE . 18.4 Cg_endo -74.94 179.27 31.17 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.064 -2.473 . . . . 0.0 111.065 -0.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.606 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 19.2 m-70 -136.33 -154.04 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.626 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 1.1 p30 167.59 163.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.152 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 56' ' ' SER . 99.1 t -103.8 99.88 9.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.759 HD11 ' HA ' ' A' ' 58' ' ' THR . 8.7 mm -116.03 68.59 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 50.1 m-85 -36.87 155.83 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -94.85 -50.55 5.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 mttt 169.97 144.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 1.061 HG22 ' HB2' ' A' ' 52' ' ' ALA . 12.2 m -129.16 157.76 75.01 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 111.062 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.528 ' CB ' ' HB3' ' A' ' 54' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 1.061 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -76.13 -52.3 2.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.793 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -75.03 0.41 8.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.044 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.528 ' HB3' ' CB ' ' A' ' 51' ' ' SER . . . -107.22 -42.06 4.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.49 ' HB3' ' CE2' ' A' ' 43' ' ' PHE . 6.2 mt -59.68 -36.16 75.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 0.3 OUTLIER -49.03 103.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.031 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.85 91.07 7.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.759 ' HA ' HD11 ' A' ' 42' ' ' ILE . 41.2 p -53.53 -19.57 3.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.175 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -55.55 88.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 58' ' ' THR . 0.2 OUTLIER -68.08 142.82 55.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.426 ' HB2' ' CE1' ' A' ' 67' ' ' PHE . . . -99.67 113.26 25.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.559 HD11 HD12 ' A' ' 60' ' ' LEU . 5.2 mm -83.07 -49.63 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.364 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.67 142.97 28.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 133.25 16.31 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 66' ' ' SER . . . 176.1 37.75 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.752 ' HA ' HG23 ' A' ' 32' ' ' VAL . 0.3 OUTLIER 53.44 103.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.595 0.821 . . . . 0.0 110.008 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -37.57 -77.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -178.62 175.98 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 111.049 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.76 153.05 29.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.495 ' C ' HG23 ' A' ' 28' ' ' THR . 2.6 m -147.59 143.16 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.399 1.062 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.2 m -107.83 146.28 32.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.4 mt -120.96 172.9 7.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . -151.04 -64.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.446 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 23.4 m -51.18 135.51 30.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.439 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 74' ' ' THR . 18.5 Cg_endo -74.96 145.84 32.1 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.458 1.767 . . . . 0.0 110.971 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 95' ' ' THR . . . 147.99 179.85 24.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.1 m -113.61 115.33 27.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.76 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.958 ' CD2' HG11 ' A' ' 46' ' ' VAL . 7.4 m-85 -89.13 135.87 33.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.17 136.32 54.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.637 ' N ' ' CD1' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -135.91 172.51 12.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.946 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.647 ' HB3' HG12 ' A' ' 91' ' ' VAL . 7.2 p90 -156.79 160.32 39.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.37 141.29 32.94 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.544 1.153 . . . . 0.0 108.328 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.577 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.6 OUTLIER -79.28 -47.12 1.61 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.04 -46.65 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.838 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 62.5 m80 -87.66 13.37 10.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.643 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 2.4 ttt180 -45.56 -25.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.59 1.181 . . . . 0.0 110.26 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.64 -27.47 9.05 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.838 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . . . -62.96 -23.81 67.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.2 53.59 2.15 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.484 1.115 . . . . 0.0 111.102 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 14' ' ' PRO . 12.3 mtp -110.66 104.68 13.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.647 HG12 ' HB3' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -140.8 155.7 22.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.38 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.57 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -142.35 170.28 25.11 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.41 ' C ' HG13 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -134.1 150.72 51.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 110.406 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.72 HD13 HG11 ' A' ' 29' ' ' VAL . 80.5 mt -149.68 111.37 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.862 HG22 ' HA ' ' A' ' 22' ' ' SER . 15.2 t -100.07 155.61 17.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.575 1.172 . . . . 0.0 110.478 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.76 ' O ' HG12 ' A' ' 96' ' ' VAL . 5.4 t -129.95 72.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.997 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.776 HG21 HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -110.35 177.56 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.244 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -140.17 161.12 38.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.615 HD11 HD22 ' A' ' 21' ' ' LEU . 7.2 mm -123.09 119.19 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.566 1.166 . . . . 0.0 109.226 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.494 ' HG2' HG13 ' A' ' 32' ' ' VAL . 2.5 mtmt -95.27 129.01 42.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.515 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 3.3 mpp? -104.68 99.79 9.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 109.56 139.53 8.5 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.443 1.089 . . . . 0.0 110.949 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.856 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 8.6 p -99.89 159.75 14.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.435 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.13 -18.34 9.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.223 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -89.52 39.24 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 38.79 29.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.856 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -98.73 119.85 60.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.455 ' HG3' HG21 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -74.91 98.08 1.12 Allowed 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.437 1.757 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.755 HD11 ' CG2' ' A' ' 9' ' ' THR . 2.2 pp -157.13 150.87 24.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.515 ' CE1' ' HG3' ' A' ' 7' ' ' MET . 11.1 m-85 -80.3 129.32 34.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 22.7 tt0 -128.27 125.32 23.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.416 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.02 -178.09 22.45 Favored 'Cis proline' 0 C--N 1.361 1.217 0 C-N-CA 121.016 -2.493 . . . . 0.0 110.999 -0.025 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -36.7 70.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.47 160.81 40.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.802 ' CD2' HG23 ' A' ' 94' ' ' ILE . 1.9 pt? -156.45 152.64 27.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.9 t -121.77 148.09 45.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.994 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.691 HD12 ' HB2' ' A' ' 27' ' ' ASP . 5.2 pt -146.04 172.17 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.409 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -108.65 148.92 29.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 110.062 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.02 105.88 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.45 -8.69 9.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.621 1.2 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.691 ' HB2' HD12 ' A' ' 23' ' ' ILE . 13.1 m-20 -77.42 177.86 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.8 m -130.38 156.78 44.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.648 HG12 ' CE1' ' A' ' 31' ' ' PHE . 89.6 t -128.29 109.54 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.279 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -87.32 167.24 14.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.648 ' CE1' HG12 ' A' ' 29' ' ' VAL . 42.5 m-85 -147.05 121.48 9.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.494 HG13 ' HG2' ' A' ' 6' ' ' LYS . 9.3 p -122.43 152.01 26.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.433 ' CE ' ' HA ' ' A' ' 35' ' ' LYS . 1.7 ttp -100.01 123.93 44.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.4 m120 -83.72 -64.44 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.555 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -171.53 -165.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.614 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 13.0 p 47.63 49.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.468 ' HA2' ' NE2' ' A' ' 39' ' ' HIS . . . -107.31 -164.77 21.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.462 1.101 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HA ' ' HA3' ' A' ' 37' ' ' GLY . 18.3 Cg_endo -74.99 -176.34 17.87 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.953 -2.52 . . . . 0.0 111.055 -0.04 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.614 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 26.4 m-70 -139.6 -150.32 0.32 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.537 1.148 . . . . 0.0 109.597 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.6 OUTLIER 167.36 160.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 56' ' ' SER . 16.9 t -99.9 99.72 9.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.558 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 2.5 mm -111.75 68.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' ILE . 17.9 m-85 -36.53 155.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -99.7 -58.59 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 176.18 148.8 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.965 HG12 ' HB2' ' A' ' 52' ' ' ALA . 11.9 p -141.19 140.96 21.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.104 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.822 ' HB2' ' HB3' ' A' ' 54' ' ' ALA . 19.7 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.965 ' HB2' HG12 ' A' ' 46' ' ' VAL . . . -76.46 -49.95 2.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.708 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.07 0.8 8.49 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.545 1.813 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.822 ' HB3' ' HB2' ' A' ' 51' ' ' SER . . . -107.46 -22.16 12.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.32 -33.24 37.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 0.3 OUTLIER -49.19 121.41 4.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.05 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.52 118.14 32.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.6 t -88.58 40.52 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -100.84 70.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.524 ' O ' HD12 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -41.97 104.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.831 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -85.62 99.0 10.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 62' ' ' ILE . 2.8 mp -74.21 -53.83 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.5 113.18 3.04 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.38 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.08 13.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.519 1.799 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 66' ' ' SER . . . 172.29 -55.11 0.17 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.554 1.159 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.459 ' HA ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER 163.65 101.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.983 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.831 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 6.0 m-85 -37.79 -86.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -168.07 174.7 7.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.82 157.13 24.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.2 137.31 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.375 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.8 m -102.81 151.09 22.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.432 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.789 HD22 ' CE2' ' A' ' 78' ' ' TYR . 12.1 mt -123.04 173.53 7.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -147.74 -44.92 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.448 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 4.8 m -74.28 138.53 75.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 110.376 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 74' ' ' THR . 18.1 Cg_endo -75.08 153.62 41.52 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.458 1.767 . . . . 0.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.15 -178.68 19.33 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 94' ' ' ILE . 54.1 m -108.51 123.13 48.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.57 0.806 . . . . 0.0 110.415 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.789 ' CE2' HD22 ' A' ' 72' ' ' LEU . 6.8 m-85 -101.58 130.54 47.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.591 1.182 . . . . 0.0 111.056 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.0 t -119.43 162.85 18.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 109.971 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.584 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 2.2 p90 -157.39 179.43 9.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.723 ' HB3' HG12 ' A' ' 91' ' ' VAL . 12.7 p90 -160.39 166.99 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.37 143.78 26.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 108.282 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.553 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -79.72 -48.57 1.4 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.407 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.4 Cg_endo -74.97 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.45 1.763 . . . . 0.0 111.032 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.844 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 65.7 m80 -86.4 11.14 13.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.657 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.568 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 4.2 ttt180 -44.82 -25.88 0.34 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.095 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -99.01 -27.15 8.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.416 1.072 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.844 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . . . -62.7 -24.35 67.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.01 54.3 1.77 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.537 1.148 . . . . 0.0 111.054 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.425 ' CG ' ' O ' ' A' ' 14' ' ' PRO . 10.4 mtp -112.01 98.2 7.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.723 HG12 ' HB3' ' A' ' 81' ' ' TYR . 4.1 m -140.31 151.42 21.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.584 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -136.0 -171.38 12.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.509 ' O ' HD23 ' A' ' 21' ' ' LEU . 3.6 m -154.72 165.28 37.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.757 . . . . 0.0 110.304 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.802 HG23 ' CD2' ' A' ' 21' ' ' LEU . 1.1 mt -151.08 165.45 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' ILE . 23.3 m -143.43 138.83 29.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.623 ' O ' HG12 ' A' ' 96' ' ' VAL . 9.6 t -125.37 81.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.409 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.0 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.833 HG21 HD11 ' A' ' 21' ' ' LEU . 23.2 m -116.19 176.63 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -141.73 153.46 44.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.776 HD13 ' HD2' ' A' ' 18' ' ' PRO . 10.7 mm -124.89 113.04 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.682 ' HG2' HG13 ' A' ' 32' ' ' VAL . 6.9 mttp -89.17 133.48 34.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 mtm -100.79 106.12 17.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.52 156.84 20.04 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.561 1.163 . . . . 0.0 111.078 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.678 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -120.02 158.83 25.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.779 . . . . 0.0 110.399 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -62.25 -14.16 35.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -90.35 40.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.231 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER 37.34 40.57 0.21 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.678 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -114.15 112.59 46.84 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.608 ' HG3' HG11 ' A' ' 36' ' ' VAL . 18.2 Cg_endo -75.02 77.75 3.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 pp -137.59 158.12 45.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.417 ' N ' ' HG3' ' A' ' 90' ' ' MET . 5.6 m-85 -77.59 142.21 39.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 32.2 tt0 -148.45 125.81 5.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.776 ' HD2' HD13 ' A' ' 5' ' ' ILE . 18.4 Cg_endo -75.03 166.97 81.85 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.076 -2.468 . . . . 0.0 111.008 0.053 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -39.06 79.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.52 146.95 45.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.874 HD23 HG12 ' A' ' 94' ' ' ILE . 13.3 tp -145.78 144.55 30.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.51 ' H ' HD12 ' A' ' 21' ' ' LEU . 7.3 t -130.56 145.41 51.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.026 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.591 HG13 HG22 ' A' ' 96' ' ' VAL . 13.4 pt -154.43 -175.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.611 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 7.4 m -122.83 170.44 10.09 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.488 1.118 . . . . 0.0 109.926 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.42 105.57 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.31 -7.92 8.5 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.562 ' HB2' HD12 ' A' ' 23' ' ' ILE . 5.3 m-20 -80.8 173.54 12.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 m -126.6 154.3 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.373 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.96 HG11 HD13 ' A' ' 94' ' ' ILE . 73.1 t -130.21 100.72 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.6 OUTLIER -80.51 164.05 23.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.54 ' CE1' HG12 ' A' ' 29' ' ' VAL . 74.9 m-85 -143.58 123.42 13.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.682 HG13 ' HG2' ' A' ' 6' ' ' LYS . 7.5 p -130.09 148.62 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.473 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 6.8 mtp -92.02 118.84 31.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.466 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.5 m120 -78.74 -65.8 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.44 -170.37 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.608 HG11 ' HG3' ' A' ' 14' ' ' PRO . 1.8 t 48.69 58.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.473 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -114.16 -164.71 15.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.079 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.417 ' HA ' ' HA3' ' A' ' 37' ' ' GLY . 18.3 Cg_endo -74.97 -178.57 23.83 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.035 0.023 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.572 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 8.8 m-70 -134.86 -165.44 1.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.628 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 3.0 p30 -172.49 166.54 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.734 ' O ' HD13 ' A' ' 42' ' ' ILE . 99.7 t -109.09 113.82 45.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.734 HD13 ' O ' ' A' ' 41' ' ' VAL . 7.1 mm -136.85 74.08 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.413 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 78.5 m-85 -48.42 162.93 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -92.33 -65.71 0.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.671 ' HA ' ' HB1' ' A' ' 52' ' ' ALA . 3.0 mtmt -171.05 155.06 4.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.84 HG11 ' CZ ' ' A' ' 78' ' ' TYR . 71.4 t -134.45 143.57 47.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.717 ' HD2' HG13 ' A' ' 46' ' ' VAL . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.203 0 O-C-N 124.445 1.761 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.846 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . . . -63.11 -54.12 48.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.846 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.97 50.75 2.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.464 1.771 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.55 -45.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.04 -26.11 65.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.19 126.23 29.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.975 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' VAL . 28.6 t-20 -118.81 111.7 18.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.391 1.057 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.692 ' HA ' HD11 ' A' ' 42' ' ' ILE . 8.9 t -86.87 44.32 1.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -113.87 76.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.216 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.53 123.95 8.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.703 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -114.3 121.78 44.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 63' ' ' ALA . 9.5 tp -83.43 -46.11 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -39.32 99.74 0.2 Allowed Pre-proline 0 C--N 1.323 -0.563 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.05 135.3 18.81 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.577 1.83 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.57 -57.69 0.22 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.679 ' HA ' HG23 ' A' ' 32' ' ' VAL . 6.2 t 168.45 98.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.703 ' CE1' ' HB3' ' A' ' 61' ' ' ALA . 2.0 m-85 -37.45 -84.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.463 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 16.2 p90 -170.74 174.48 4.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.77 154.92 35.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.949 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.0 m -143.57 136.51 24.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.5 m -98.06 122.73 41.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 110.448 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.601 HD12 ' CE2' ' A' ' 78' ' ' TYR . 0.9 OUTLIER -98.66 172.78 7.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.229 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.582 ' O ' HG11 ' A' ' 96' ' ' VAL . . . -150.46 -66.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.3 m -38.66 128.76 1.14 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.489 0.758 . . . . 0.0 110.404 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.1 Cg_endo -75.03 141.37 26.48 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.5 -179.69 21.55 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.1 m -103.52 126.45 50.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 110.453 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.84 ' CZ ' HG11 ' A' ' 46' ' ' VAL . 5.6 m-85 -101.42 140.16 36.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 111.058 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 p -119.13 148.15 43.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.598 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 8.3 p90 -157.54 179.92 8.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.564 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 16.7 p90 -161.65 178.07 9.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.955 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.534 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 10.3 t -125.63 97.02 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 108.241 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.531 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -28.85 -57.92 0.25 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.454 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.639 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -74.96 127.68 10.9 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.58 1.832 . . . . 0.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.639 ' CD2' ' O ' ' A' ' 84' ' ' PRO . 2.0 m-70 84.09 -0.39 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.622 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.5 ptt85 -42.48 -41.59 3.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.99 -33.47 59.64 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -63.55 -13.47 41.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.18 79.39 1.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.536 1.148 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' A' ' 14' ' ' PRO . 3.5 ttt -133.04 79.12 1.82 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 0.772 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.11 148.07 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.598 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -148.69 159.5 28.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.646 1.216 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.407 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 1.4 m -134.78 160.01 39.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.745 . . . . 0.0 110.428 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.96 HD13 HG11 ' A' ' 29' ' ' VAL . 94.8 mt -144.87 131.51 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' ILE . 92.5 m -113.62 146.75 39.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.748 ' O ' HG12 ' A' ' 96' ' ' VAL . 2.9 t -127.26 78.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.202 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.611 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 1.3 tm-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.922 HG21 HD11 ' A' ' 21' ' ' LEU . 17.6 m -112.41 175.41 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.624 1.202 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -144.55 159.68 42.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 30' ' ' GLU . 6.0 mm -124.67 118.98 54.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.551 ' HG2' HG13 ' A' ' 32' ' ' VAL . 7.6 mttt -96.45 140.0 31.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.453 ' HE1' ' CD2' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -113.09 97.77 6.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.21 151.43 8.56 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.934 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 1.8 p -118.99 154.98 32.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.444 0.732 . . . . 0.0 110.351 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.62 -17.63 15.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.1 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.96 41.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 38.25 34.82 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.934 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -106.35 110.42 63.87 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.428 ' C ' ' SD ' ' A' ' 90' ' ' MET . 18.2 Cg_endo -75.06 78.21 2.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.438 1.757 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.418 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.3 pp -135.41 161.37 35.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.065 . . . . 0.0 109.328 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.462 ' CD2' ' HG2' ' A' ' 90' ' ' MET . 5.7 m-85 -79.18 143.06 35.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 12.0 tt0 -146.06 126.57 7.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.43 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.0 164.89 87.36 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.961 -2.516 . . . . 0.0 111.013 -0.009 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -39.1 86.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.46 149.73 44.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.922 HD11 HG21 ' A' ' 3' ' ' VAL . 11.2 tp -140.68 140.73 34.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.665 ' H ' HD12 ' A' ' 21' ' ' LEU . 9.5 t -129.7 143.0 50.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.585 HD12 ' HB2' ' A' ' 27' ' ' ASP . 16.1 pt -154.88 -176.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 m -121.42 165.47 15.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.07 104.13 0.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.74 -6.81 7.88 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.585 ' HB2' HD12 ' A' ' 23' ' ' ILE . 8.3 m-20 -83.22 173.04 11.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 m -123.71 153.81 40.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.544 HG13 ' CD2' ' A' ' 21' ' ' LEU . 79.0 t -132.9 103.1 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.214 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -80.81 168.76 18.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 110.285 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -145.22 121.66 11.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.681 HG23 ' HA ' ' A' ' 66' ' ' SER . 4.5 p -127.98 144.46 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.409 ' SD ' ' CE2' ' A' ' 67' ' ' PHE . 7.1 mtp -91.05 105.88 18.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -55.01 -69.73 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.573 1.171 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.594 ' O ' HG12 ' A' ' 36' ' ' VAL . 1.9 pttt -169.49 -163.46 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 35' ' ' LYS . 12.1 p 47.68 41.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.572 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -86.92 -168.9 45.38 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.5 1.125 . . . . 0.0 111.046 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.525 ' CG ' HD13 ' A' ' 60' ' ' LEU . 18.6 Cg_endo -74.98 -179.42 26.58 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.006 -0.112 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.572 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 63.7 m-70 -133.47 -170.32 2.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 109.614 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.495 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.3 t-20 -145.36 -161.36 1.29 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.698 ' O ' HG12 ' A' ' 41' ' ' VAL . 57.2 t -155.98 55.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.368 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.425 HD11 ' ND2' ' A' ' 40' ' ' ASN . 12.2 mm -91.53 124.93 44.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.485 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 83.0 m-85 -88.68 172.22 9.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -97.86 -59.33 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.81 143.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.997 ' CG1' ' HB2' ' A' ' 52' ' ' ALA . 4.0 m -122.33 158.99 54.28 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.4 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.997 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . . . -59.09 -52.69 72.94 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.783 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.6 Cg_endo -74.9 50.89 2.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 111.044 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -160.3 -44.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.6 mt -68.18 -23.53 64.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.32 112.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -93.93 105.19 17.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.3 t -89.91 45.11 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.365 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -134.27 73.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.525 HD13 ' CG ' ' A' ' 38' ' ' PRO . 2.6 pp -40.66 130.42 2.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.513 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -112.6 115.97 29.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.408 HG23 ' N ' ' A' ' 63' ' ' ALA . 8.8 tp -79.9 -48.76 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.408 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -42.87 102.19 0.27 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 130.84 13.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.566 1.824 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 66' ' ' SER . . . 174.53 -53.54 0.14 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.681 ' HA ' HG23 ' A' ' 32' ' ' VAL . 4.6 p 165.03 99.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 0.731 . . . . 0.0 110.07 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.513 ' CE1' ' HB3' ' A' ' 61' ' ' ALA . 0.8 OUTLIER -37.42 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.7 p90 178.75 174.77 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.41 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -121.63 156.22 33.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 110.022 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 69' ' ' SER . 7.7 m -151.95 136.82 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.4 m -91.37 142.72 27.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.428 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.864 HD13 ' CE2' ' A' ' 78' ' ' TYR . 67.8 mt -117.4 172.89 7.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -154.65 -52.29 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.563 1.164 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.98 124.4 6.68 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 140.61 25.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.46 -177.26 20.53 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.9 t -105.0 124.3 49.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 110.371 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.864 ' CE2' HD13 ' A' ' 72' ' ' LEU . 21.7 m-85 -98.08 141.6 30.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.3 m -119.26 149.2 42.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.003 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.582 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 18.5 p90 -163.22 -178.02 5.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -161.27 -175.98 5.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.542 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 7.3 t -128.03 95.61 4.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.535 ' C ' ' O ' ' A' ' 82' ' ' CYS . 0.8 OUTLIER -26.88 -57.96 0.2 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.42 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.652 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 18.6 Cg_endo -75.0 126.03 9.71 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.652 ' CD2' ' O ' ' A' ' 84' ' ' PRO . 3.1 m-70 87.78 -4.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.629 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.5 ptt85 -39.85 -40.77 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.339 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.67 -39.28 56.11 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.541 1.15 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -59.81 -17.25 34.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 0.802 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.06 84.53 1.66 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.462 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 5.0 ttt -137.13 82.77 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 0.768 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 30.7 m -120.84 147.28 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.582 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -147.69 155.79 26.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 78' ' ' TYR . 1.3 m -134.18 159.42 40.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 0.796 . . . . 0.0 110.374 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.794 HG12 HD23 ' A' ' 21' ' ' LEU . 58.6 mt -141.67 130.97 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' ILE . 87.2 m -113.22 145.31 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.372 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.746 ' O ' HG12 ' A' ' 96' ' ' VAL . 3.6 t -127.11 76.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.853 HG21 HD21 ' A' ' 21' ' ' LEU . 22.5 m -111.51 172.4 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.589 1.181 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.46 154.24 39.58 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' ' 5' ' ' ILE . 4.5 mm -120.06 117.9 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.616 ' HG2' HG13 ' A' ' 32' ' ' VAL . 7.1 mttt -91.88 154.49 18.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.574 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 3.4 mpp? -129.04 109.21 11.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.27 133.56 8.0 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.536 HG23 ' HG ' ' A' ' 15' ' ' LEU . 4.4 p -96.34 154.99 16.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.34 -7.56 32.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -90.24 25.23 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 53.45 48.79 21.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.5 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -136.06 123.53 14.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.415 ' O ' ' HG2' ' A' ' 90' ' ' MET . 18.4 Cg_endo -74.98 111.17 3.27 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.467 1.772 . . . . 0.0 110.977 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.536 ' HG ' HG23 ' A' ' 9' ' ' THR . 0.8 OUTLIER -170.22 151.4 3.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.574 ' CD1' ' HG3' ' A' ' 7' ' ' MET . 46.0 m-85 -80.9 138.4 36.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 17.3 tt0 -131.67 126.65 21.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.462 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.99 -176.78 18.78 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.003 -0.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -92.36 26.32 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 19' ' ' LYS . . . 175.63 137.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.853 HD21 HG21 ' A' ' 3' ' ' VAL . 14.0 tp -142.22 150.01 40.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.52 ' O ' HG23 ' A' ' 23' ' ' ILE . 8.1 t -133.08 146.68 51.89 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.512 1.133 . . . . 0.0 109.99 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.662 HD13 ' CG2' ' A' ' 29' ' ' VAL . 30.5 pt -156.14 -174.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.6 m -118.05 169.56 9.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.079 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -69.27 104.34 2.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.22 -6.62 8.71 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.453 ' HB2' HD12 ' A' ' 23' ' ' ILE . 9.5 m-20 -80.15 173.78 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 0.733 . . . . 0.0 109.311 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.0 m -121.89 154.94 36.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.411 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.741 HG11 HD13 ' A' ' 94' ' ' ILE . 85.6 t -135.9 107.7 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.39 168.05 15.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.412 ' CE2' HG21 ' A' ' 5' ' ' ILE . 46.3 m-85 -145.58 129.12 17.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.786 HG23 ' HA ' ' A' ' 66' ' ' SER . 9.9 p -131.55 136.71 56.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.516 ' HE3' ' HA3' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -91.19 100.97 13.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.483 ' OD1' ' CE ' ' A' ' 6' ' ' LYS . 2.0 m-20 -56.69 -73.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 1.009 ' HD3' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -169.99 -170.39 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 1.009 HG23 ' HD3' ' A' ' 35' ' ' LYS . 21.9 t 68.29 15.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.577 ' HA2' ' CE1' ' A' ' 39' ' ' HIS . . . -69.36 -165.9 4.64 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.586 ' CB ' HD13 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.97 161.41 94.89 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 121.023 -2.49 . . . . 0.0 111.015 0.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.577 ' CE1' ' HA2' ' A' ' 37' ' ' GLY . 66.5 m-70 -131.9 -164.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.067 . . . . 0.0 109.616 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.578 ' HA ' ' CE2' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -178.48 -174.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 56' ' ' SER . 61.5 t -127.71 82.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.7 mm -103.78 74.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -38.04 157.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.062 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 2.4 t0 -90.26 -48.12 7.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 7.8 mtmt 168.23 150.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.91 HG22 ' HB2' ' A' ' 52' ' ' ALA . 33.6 m -130.24 158.55 73.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.448 1.762 . . . . 0.0 110.961 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.476 ' OG ' ' HB3' ' A' ' 54' ' ' ALA . 76.7 p . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.91 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -51.13 -51.04 71.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.733 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.98 51.14 2.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.476 ' HB3' ' OG ' ' A' ' 51' ' ' SER . . . -159.31 -45.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.9 mt -69.59 -29.06 66.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 2.1 m -47.63 104.87 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.122 . . . . 0.0 109.996 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -91.96 105.99 18.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.1 t -86.78 42.23 1.0 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -113.01 63.0 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.682 ' O ' HD12 ' A' ' 60' ' ' LEU . 2.1 pp -39.52 116.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.667 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -96.76 100.18 11.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.434 HD13 ' HG3' ' A' ' 38' ' ' PRO . 7.8 tp -67.26 -45.37 86.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.228 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.58 117.71 59.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 130.88 13.69 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.495 1.787 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.28 39.71 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.786 ' HA ' HG23 ' A' ' 32' ' ' VAL . 1.3 t 65.69 96.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 0.734 . . . . 0.0 109.995 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.667 ' CE1' ' HB3' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -38.0 -76.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.3 p90 179.9 174.83 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.951 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.465 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -123.52 155.3 37.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.946 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 69' ' ' SER . 11.0 m -153.73 136.44 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.4 m -90.24 148.46 22.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.0 mt -129.38 172.45 11.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.44 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . -151.33 -44.48 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -51.2 124.76 23.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.558 0.799 . . . . 0.0 110.389 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -75.07 141.14 26.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.97 -179.22 21.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.409 ' O ' ' CG2' ' A' ' 77' ' ' THR . 3.6 t -107.54 117.81 35.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 110.395 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.89 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.7 m-85 -92.63 134.81 34.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.77 145.06 43.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.566 ' CE2' ' HA3' ' A' ' 92' ' ' GLY . 0.5 OUTLIER -147.88 172.48 14.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CD1' ' HD2' ' A' ' 86' ' ' ARG . 5.8 p90 -166.43 171.43 11.93 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.567 1.167 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.15 149.28 23.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.353 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.533 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -80.67 -49.76 1.1 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.374 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.07 -45.38 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.551 1.816 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.832 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 99.2 m-70 -84.52 9.45 13.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.63 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -43.48 -26.72 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 85' ' ' HIS . . . -102.59 -25.45 7.69 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.832 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . . . -62.24 -23.87 66.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.767 . . . . 0.0 109.228 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.98 54.35 1.4 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.431 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 3.4 mtp -113.11 82.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 0.799 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.545 HG12 ' HB3' ' A' ' 81' ' ' TYR . 29.0 m -121.92 164.87 18.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.566 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -155.67 172.46 33.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.586 1.179 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.404 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -142.96 155.8 44.76 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 0.768 . . . . 0.0 110.384 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.741 HD13 HG11 ' A' ' 29' ' ' VAL . 72.0 mt -148.73 135.28 12.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 23' ' ' ILE . 46.6 m -113.98 142.89 45.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.737 ' O ' HG12 ' A' ' 96' ' ' VAL . 4.0 t -128.09 74.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.218 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' ILE . 4.3 mt-10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.825 HG21 HD11 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -122.17 176.72 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -147.39 161.43 41.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.507 ' HA ' HD13 ' A' ' 5' ' ' ILE . 4.1 mm -125.86 121.06 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.465 ' HG3' ' CG1' ' A' ' 32' ' ' VAL . 1.9 mtmt -93.43 141.76 28.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.406 ' SD ' ' CE1' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -117.4 100.84 7.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 107.76 140.89 9.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.718 ' CG2' HD11 ' A' ' 15' ' ' LEU . 1.6 p -103.25 163.97 11.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.586 0.815 . . . . 0.0 110.383 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -67.57 -8.81 37.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -91.2 32.12 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.43 ' C ' HG11 ' A' ' 36' ' ' VAL . 0.4 OUTLIER 44.44 26.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 111.049 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.91 125.57 31.32 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HB2' ' SD ' ' A' ' 90' ' ' MET . 18.4 Cg_endo -74.95 110.07 3.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.718 HD11 ' CG2' ' A' ' 9' ' ' THR . 1.3 pp -162.64 150.35 13.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.491 ' CE2' ' HE2' ' A' ' 90' ' ' MET . 31.1 m-85 -83.31 127.44 33.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 16.1 tt0 -124.33 126.23 25.54 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.401 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.0 -178.37 23.27 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.014 0.012 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 13.9 ptmt -92.33 24.52 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 19' ' ' LYS . . . 179.2 143.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.825 HD11 HG21 ' A' ' 3' ' ' VAL . 8.3 tp -147.31 144.09 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.759 ' H ' HD12 ' A' ' 21' ' ' LEU . 12.8 t -131.45 141.77 49.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.751 HD12 ' HB2' ' A' ' 27' ' ' ASP . 20.1 pt -151.33 -173.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.2 m -122.06 173.23 7.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.175 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -68.98 104.18 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.61 -6.82 7.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.751 ' HB2' HD12 ' A' ' 23' ' ' ILE . 4.4 m-20 -82.32 173.42 12.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 0.804 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.494 HG23 ' C ' ' A' ' 70' ' ' VAL . 30.5 m -124.68 157.95 34.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.413 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.046 HG11 ' CD1' ' A' ' 94' ' ' ILE . 65.2 t -131.83 111.74 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 5' ' ' ILE . 34.8 tt0 -90.5 163.31 14.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.442 ' CE1' HG12 ' A' ' 29' ' ' VAL . 47.9 m-85 -142.26 123.97 15.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.729 HG23 ' HA ' ' A' ' 66' ' ' SER . 3.8 p -123.89 157.36 30.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 109.395 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.3 ttm -107.82 128.96 55.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.15 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.8 m120 -87.1 -62.98 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.691 ' O ' HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -177.18 -161.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 35' ' ' LYS . 9.3 m 49.57 35.07 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.46 ' HA2' ' NE2' ' A' ' 39' ' ' HIS . . . -93.84 -165.64 37.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.483 ' HG3' HD11 ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.04 -176.68 18.6 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.013 0.026 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.468 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 61.9 m-70 -142.15 -148.93 0.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.566 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 178.97 177.99 0.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.6 t -126.7 71.42 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.623 HD12 ' OG1' ' A' ' 83' ' ' THR . 30.9 mt -94.93 90.76 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -55.71 156.33 5.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.3 t70 -88.81 -48.01 7.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER 166.97 144.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 1.028 HG22 ' HB2' ' A' ' 52' ' ' ALA . 6.1 m -128.15 153.76 78.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.094 0 O-C-N 124.525 1.802 . . . . 0.0 110.96 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.912 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 1.028 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -75.35 -51.92 3.18 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.78 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -74.97 0.2 9.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.448 1.762 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.912 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -102.38 -52.47 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.7 mt -53.52 -33.61 55.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 m -40.52 160.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.015 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -158.88 99.01 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.597 ' CB ' HD11 ' A' ' 42' ' ' ILE . 15.2 t -87.15 43.0 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.416 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ALA . 4.6 tttt -109.17 91.37 3.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.29 95.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 1.186 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -83.82 96.5 8.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.157 . . . . 0.0 109.338 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.483 HD11 ' HG3' ' A' ' 38' ' ' PRO . 3.1 mm -74.83 -54.79 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -39.83 100.04 0.21 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.06 130.7 13.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 110.965 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.19 48.19 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.729 ' HA ' HG23 ' A' ' 32' ' ' VAL . 11.6 t 63.82 96.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 0.781 . . . . 0.0 110.032 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 1.186 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 1.3 m-85 -37.45 -82.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -169.28 175.04 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -118.95 160.9 21.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.494 ' C ' HG23 ' A' ' 28' ' ' THR . 6.0 m -149.49 140.2 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.9 m -103.33 136.3 43.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.379 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.69 ' CD2' ' CE2' ' A' ' 78' ' ' TYR . 0.7 OUTLIER -115.84 172.39 7.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . -149.97 -56.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.455 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 19.4 m -53.27 136.37 50.2 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.486 0.756 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.04 147.29 33.57 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.467 1.772 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.37 179.6 20.93 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 t -113.25 121.4 44.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.773 . . . . 0.0 110.404 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.955 ' CD2' HG11 ' A' ' 46' ' ' VAL . 7.2 m-85 -96.82 130.55 44.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -117.17 142.73 46.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.014 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.619 ' N ' ' CD1' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -142.6 171.09 14.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.685 ' HB3' HG12 ' A' ' 91' ' ' VAL . 11.2 p90 -157.46 170.01 23.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -91.3 146.82 23.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 108.284 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.623 ' OG1' HD12 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -75.24 -55.27 2.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 110.357 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.98 -35.51 3.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -102.19 69.69 1.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 109.615 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -98.62 -11.72 21.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -110.35 -27.58 4.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.64 -23.36 67.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.787 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.81 55.57 1.51 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.491 ' HE2' ' CE2' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -108.04 74.89 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.73 . . . . 0.0 111.032 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.685 HG12 ' HB3' ' A' ' 81' ' ' TYR . 22.6 m -127.77 146.92 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.604 ' O ' ' CE1' ' A' ' 80' ' ' PHE . . . -139.53 154.84 23.83 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.122 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.94 157.26 30.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.783 . . . . 0.0 110.423 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.046 ' CD1' HG11 ' A' ' 29' ' ' VAL . 74.7 mt -149.46 118.12 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' ILE . 82.6 m -101.5 144.17 30.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.416 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.749 ' O ' HG12 ' A' ' 96' ' ' VAL . 4.5 t -125.12 73.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 23' ' ' ILE . 6.7 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.866 HG21 HD11 ' A' ' 21' ' ' LEU . 1.7 m -112.32 177.22 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.168 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -144.67 160.4 41.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.514 HD13 ' HD2' ' A' ' 18' ' ' PRO . 10.4 mm -125.94 119.35 54.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.495 ' CE ' ' OD1' ' A' ' 34' ' ' ASN . 4.5 mttp -99.55 128.62 45.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.232 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.559 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 46.6 mtm -99.51 102.93 14.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 106.45 146.86 13.99 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.451 1.094 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.477 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 1.1 p -110.15 164.46 12.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.751 . . . . 0.0 110.42 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.425 ' HA ' ' CE ' ' A' ' 35' ' ' LYS . 10.2 t70 -63.5 -12.82 35.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' ALA . 4.3 mttt -90.69 37.98 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 38.53 29.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.564 ' HB1' HD23 ' A' ' 15' ' ' LEU . . . -102.55 116.25 63.09 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.511 ' HB2' ' CG ' ' A' ' 85' ' ' HIS . 18.2 Cg_endo -75.02 86.02 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.548 1.815 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.564 HD23 ' HB1' ' A' ' 13' ' ' ALA . 2.2 pp -144.25 152.78 41.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.559 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 5.3 m-85 -75.7 139.64 42.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 111.065 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 24.1 tt0 -144.07 126.42 8.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.514 ' HD2' HD13 ' A' ' 5' ' ' ILE . 18.3 Cg_endo -75.0 170.67 71.23 Favored 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.036 -2.485 . . . . 0.0 110.982 0.044 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -38.63 61.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.37 144.08 47.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.866 HD11 HG21 ' A' ' 3' ' ' VAL . 12.1 tp -143.8 142.7 31.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.565 1.166 . . . . 0.0 109.26 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.61 ' H ' HD12 ' A' ' 21' ' ' LEU . 7.7 t -132.26 144.26 50.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.951 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.784 HD12 ' HB2' ' A' ' 27' ' ' ASP . 11.1 pt -153.73 -176.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.17 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.5 m -117.8 168.5 10.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.423 1.077 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.77 103.71 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.37 -7.07 8.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.11 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.784 ' HB2' HD12 ' A' ' 23' ' ' ILE . 25.0 m-20 -78.44 175.44 10.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.437 HG23 ' C ' ' A' ' 70' ' ' VAL . 33.0 m -127.73 158.36 37.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.686 HG22 HG23 ' A' ' 3' ' ' VAL . 54.0 t -136.49 111.62 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 5' ' ' ILE . 13.9 tt0 -87.85 166.76 14.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.544 ' CE1' HG12 ' A' ' 29' ' ' VAL . 70.7 m-85 -145.03 130.68 18.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.756 HG23 ' HA ' ' A' ' 66' ' ' SER . 3.6 p -137.17 156.45 33.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.36 103.59 15.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -58.76 -70.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.573 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -173.57 -161.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 35' ' ' LYS . 12.9 p 47.33 44.1 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.411 ' HA2' ' CE1' ' A' ' 39' ' ' HIS . . . -90.18 -162.04 37.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.569 ' HB2' HD13 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.97 171.96 65.44 Favored 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.009 0.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.547 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 86.4 m-70 -137.78 176.27 8.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.565 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 3.5 p30 -161.45 169.12 22.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.588 1.18 . . . . 0.0 109.233 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.8 t -113.58 110.03 30.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.251 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.4 mm -135.35 90.86 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -57.83 164.85 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -98.96 -51.5 3.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 mttp 171.79 147.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.835 HG11 ' CD2' ' A' ' 78' ' ' TYR . 4.1 m -133.87 155.77 79.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.593 1.183 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 0.0 111.013 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.826 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.77 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . . . -74.83 -51.92 3.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -74.96 0.46 8.86 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.567 1.825 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.826 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -108.05 -42.11 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.81 -36.67 79.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.11 124.1 13.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.068 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -124.55 123.66 40.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.2 t -90.87 33.93 0.92 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -93.56 55.58 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.829 HD11 HD11 ' A' ' 62' ' ' ILE . 1.7 pp -45.73 137.86 5.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.422 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -103.36 120.01 39.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.829 HD11 HD11 ' A' ' 60' ' ' LEU . 18.4 mm -78.45 -46.92 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.51 147.47 49.64 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 164.62 32.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.0 -93.07 0.12 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.518 1.137 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.756 ' HA ' HG23 ' A' ' 32' ' ' VAL . 85.5 p 179.2 98.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 109.967 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.422 ' CE1' ' HB3' ' A' ' 61' ' ' ALA . 1.6 m-85 -37.33 -82.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 11.0 p90 177.57 177.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.875 ' O ' HG13 ' A' ' 70' ' ' VAL . 11.4 t -122.36 -179.75 4.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.012 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.875 HG13 ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -170.03 144.65 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.2 m -102.51 145.59 29.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.094 . . . . 0.0 110.419 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.4 mt -116.47 172.0 7.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.14 -48.06 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.57 1.169 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.9 m -64.56 129.51 94.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 110.479 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -75.01 148.34 35.13 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.28 -179.8 22.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.7 t -106.27 122.99 47.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.372 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.835 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.3 m-85 -98.41 139.15 34.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p -125.29 144.51 50.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.4 1.062 . . . . 0.0 110.074 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.583 ' CE1' ' C ' ' A' ' 92' ' ' GLY . 6.6 p90 -149.24 -173.12 4.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.062 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -166.59 174.95 8.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.546 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 52.0 t -121.11 99.81 6.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 108.282 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.545 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -27.14 -58.86 0.21 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.102 . . . . 0.0 110.415 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.674 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -75.0 143.69 29.35 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.674 ' CD2' ' O ' ' A' ' 84' ' ' PRO . 26.9 m-70 85.46 -62.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER 37.88 -93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.268 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -45.2 -24.34 0.88 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.572 1.17 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.657 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . . . -60.46 -15.44 26.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.97 55.6 1.84 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.541 1.151 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.446 ' SD ' ' C ' ' A' ' 14' ' ' PRO . 1.3 ttt -117.42 65.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.733 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.5 m -119.01 146.4 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.583 ' C ' ' CE1' ' A' ' 80' ' ' PHE . . . -146.45 164.55 28.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -140.27 161.35 37.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.75 . . . . 0.0 110.383 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.789 HG12 HD23 ' A' ' 21' ' ' LEU . 95.4 mt -142.94 131.92 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' ILE . 41.4 m -115.07 142.53 46.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.659 ' O ' HG12 ' A' ' 96' ' ' VAL . 17.7 t -126.79 74.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.274 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.83 HG21 HD11 ' A' ' 21' ' ' LEU . 1.2 m -125.74 177.46 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -148.5 159.37 44.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.507 ' HB ' ' CD1' ' A' ' 31' ' ' PHE . 12.5 mm -125.07 107.89 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -89.3 139.1 30.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.415 ' HG2' ' CE ' ' A' ' 90' ' ' MET . 3.5 mtm -108.86 101.51 10.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.445 ' O ' ' ND2' ' A' ' 34' ' ' ASN . . . 117.86 145.31 7.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.686 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 14.9 p -110.15 158.6 18.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 110.39 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -60.58 -15.16 25.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.51 38.96 0.96 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 40.16 28.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.686 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -104.08 116.21 61.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.437 ' HB2' ' CB ' ' A' ' 85' ' ' HIS . 18.3 Cg_endo -75.06 92.66 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.567 1.825 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.788 HD23 ' N ' ' A' ' 16' ' ' TYR . 6.9 tt -142.08 172.24 12.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.788 ' N ' HD23 ' A' ' 15' ' ' LEU . 5.2 m-85 -96.37 127.86 42.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.074 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.474 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 18.9 tt0 -132.95 130.53 21.53 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.4 1.063 . . . . 0.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.496 ' HD2' HD13 ' A' ' 5' ' ' ILE . 18.1 Cg_endo -75.03 150.94 96.22 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.009 0.055 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.73 -39.94 19.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.26 148.27 48.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.83 HD11 HG21 ' A' ' 3' ' ' VAL . 5.9 tp -139.55 140.39 37.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.813 ' N ' HD12 ' A' ' 21' ' ' LEU . 16.2 t -128.87 141.27 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.618 1.199 . . . . 0.0 109.952 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.632 HG13 HG22 ' A' ' 96' ' ' VAL . 15.0 pt -150.72 -176.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.805 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 8.7 m -121.76 161.94 21.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.041 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.54 105.82 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.7 -7.98 8.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.544 ' HB2' HD12 ' A' ' 23' ' ' ILE . 9.2 m-20 -82.17 173.83 11.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.789 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.0 m -122.66 155.87 35.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.474 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.895 HG11 HD13 ' A' ' 94' ' ' ILE . 85.2 t -129.38 107.08 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 5' ' ' ILE . 1.3 tt0 -84.99 166.01 17.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.507 ' CD1' ' HB ' ' A' ' 5' ' ' ILE . 73.2 m-85 -142.92 123.94 14.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.142 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -122.59 151.28 26.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.521 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 1.9 ttp -103.62 83.95 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.985 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -40.39 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.363 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.608 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -169.43 -162.8 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 35' ' ' LYS . 12.9 p 48.14 46.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.6 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -90.99 -163.3 38.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.551 ' HB3' HD13 ' A' ' 62' ' ' ILE . 18.4 Cg_endo -74.99 174.95 50.02 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.026 -2.489 . . . . 0.0 111.005 -0.071 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.6 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 66.3 m-70 -132.51 -172.01 2.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.623 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.634 ' ND2' HD12 ' A' ' 42' ' ' ILE . 6.6 p-10 -169.95 -175.71 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.0 t -133.89 108.32 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.672 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 59.4 mt -137.98 104.04 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -74.38 166.26 23.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -97.53 -54.34 3.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.607 1.192 . . . . 0.0 109.311 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 mttt 177.85 148.56 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 1.043 HG11 ' CD2' ' A' ' 78' ' ' TYR . 9.6 m -130.8 156.2 80.29 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 111.044 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.507 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 4.1 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 1.041 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -63.25 -52.34 62.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.774 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -75.05 50.48 2.55 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.522 1.801 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.507 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -155.6 -45.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.25 -20.91 63.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 p -58.11 144.83 38.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.958 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -135.96 113.13 10.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.7 t -90.12 24.92 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.452 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.6 74.54 10.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.54 114.81 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.774 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -91.24 110.94 22.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.242 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.551 HD13 ' HB3' ' A' ' 38' ' ' PRO . 9.4 mm -75.31 -50.22 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.45 114.5 14.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 141.92 27.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.793 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.39 -73.16 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.0 t -173.49 104.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 109.98 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.774 ' CE1' ' HB3' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -45.32 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.8 p90 177.93 176.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.86 159.55 24.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 m -151.48 136.8 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.9 m -97.4 142.41 29.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.4 mt -129.43 172.48 11.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.48 -51.04 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 0.0 111.022 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.405 ' HB ' ' OH ' ' A' ' 78' ' ' TYR . 2.5 m -41.69 123.08 2.38 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.507 0.769 . . . . 0.0 110.4 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.97 141.55 26.87 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.63 -179.05 20.05 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.4 m -103.9 127.02 51.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 110.449 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 1.043 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.5 m-85 -102.73 135.58 44.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.4 m -114.32 145.12 42.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.048 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.599 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 8.6 p90 -156.05 179.31 9.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.672 ' CZ ' HG22 ' A' ' 42' ' ' ILE . 7.4 p90 -154.89 -174.77 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.517 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 11.3 t -131.48 101.05 5.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.238 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.569 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -31.55 -59.97 0.33 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.639 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -74.99 128.53 11.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.639 ' CD2' ' O ' ' A' ' 84' ' ' PRO . 3.1 m-70 87.39 -2.98 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -38.29 -52.71 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -68.22 -34.64 81.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -61.49 -14.77 31.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.398 0.705 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.52 91.18 1.39 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.438 ' SD ' ' CA ' ' A' ' 15' ' ' LEU . 3.6 ttt -148.07 93.41 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.387 0.698 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.7 m -132.88 147.39 31.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.599 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -146.69 154.57 26.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.547 1.154 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -128.2 158.27 38.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.348 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.895 HD13 HG11 ' A' ' 29' ' ' VAL . 74.0 mt -142.99 123.6 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.366 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ILE . 94.1 m -109.07 146.6 33.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.447 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.748 ' O ' HG12 ' A' ' 96' ' ' VAL . 3.8 t -127.41 75.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.805 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.819 ' CG2' HD21 ' A' ' 21' ' ' LEU . 13.6 m -112.6 176.8 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -148.46 152.03 36.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 110.282 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' GLU . 4.4 mm -115.53 112.76 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.462 ' HG2' ' CG1' ' A' ' 32' ' ' VAL . 26.9 mttt -81.85 141.6 33.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.641 ' HE1' ' CD1' ' A' ' 67' ' ' PHE . 3.1 mpp? -114.95 103.46 10.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 104.59 143.26 12.07 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.58 1.175 . . . . 0.0 111.009 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.943 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 81.4 p -112.82 154.24 26.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.565 0.803 . . . . 0.0 110.396 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -61.08 -15.1 29.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -91.41 39.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 42.06 32.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.943 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -107.73 103.0 47.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.422 ' C ' ' SD ' ' A' ' 90' ' ' MET . 18.2 Cg_endo -75.04 81.18 2.28 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.538 1.81 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.401 ' HA ' ' CG ' ' A' ' 90' ' ' MET . 3.6 pp -141.51 155.29 45.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -72.43 124.63 25.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 21.5 tt0 -119.91 125.38 27.4 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 18.1 Cg_endo -75.02 -174.11 13.54 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.985 -2.506 . . . . 0.0 110.924 0.018 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.48 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -91.58 23.54 3.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 19' ' ' LYS . . . 176.81 137.09 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.819 HD21 ' CG2' ' A' ' 3' ' ' VAL . 11.1 tp -138.34 143.48 39.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.829 ' HA ' HG22 ' A' ' 95' ' ' THR . 23.2 t -128.69 139.05 52.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.059 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.625 HG13 HG22 ' A' ' 96' ' ' VAL . 18.6 pt -145.87 -173.73 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.697 ' C ' HG13 ' A' ' 96' ' ' VAL . 11.2 m -119.83 175.2 6.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.936 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.15 101.94 3.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.23 1.52 9.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.479 ' HB2' HD12 ' A' ' 23' ' ' ILE . 5.6 m-20 -86.41 175.08 8.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.785 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.2 m -124.61 157.02 36.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.92 HG11 HD13 ' A' ' 94' ' ' ILE . 89.7 t -132.7 106.4 10.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 5' ' ' ILE . 3.3 tt0 -87.55 169.27 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CE1' HG12 ' A' ' 29' ' ' VAL . 49.9 m-85 -146.63 127.74 14.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 111.009 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.462 ' CG1' ' HG2' ' A' ' 6' ' ' LYS . 3.5 p -128.14 142.82 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -91.51 116.1 28.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 2.0 m120 -75.47 -68.19 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.691 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -170.57 -167.58 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.691 HG12 ' O ' ' A' ' 35' ' ' LYS . 8.8 p 49.74 41.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.222 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.597 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -89.52 -162.74 38.69 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.147 . . . . 0.0 111.072 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -179.84 28.07 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.026 0.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.597 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 52.0 m-70 -135.75 -173.38 3.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.636 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.481 ' ND2' ' CG1' ' A' ' 42' ' ' ILE . 50.6 p-10 -164.63 -172.21 2.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.3 t -136.08 90.48 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.659 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 10.8 mm -119.63 112.35 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -76.98 159.73 29.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.7 t0 -91.61 -49.3 6.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.534 1.146 . . . . 0.0 109.393 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 2.2 mtmt 168.58 144.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 1.033 ' CG1' ' HB2' ' A' ' 52' ' ' ALA . 10.2 m -123.09 157.91 59.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.66 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 1.033 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . . . -54.44 -52.44 69.4 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.791 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.95 50.99 2.65 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.66 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -156.83 -45.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.51 -33.07 70.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -43.0 122.3 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -124.33 127.6 47.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.5 t -91.14 33.21 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 110.392 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -88.21 69.54 9.18 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.411 ' HA ' ' O ' ' A' ' 39' ' ' HIS . 0.4 OUTLIER -54.56 127.55 28.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -96.86 107.26 19.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.513 HD12 ' N ' ' A' ' 62' ' ' ILE . 1.7 mp -75.12 -51.81 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.82 144.15 98.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 131.57 14.53 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.03 -135.91 3.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -131.36 106.32 8.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 0.807 . . . . 0.0 109.984 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.641 ' CD1' ' HE1' ' A' ' 7' ' ' MET . 28.3 m-85 -37.4 -73.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 111.046 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.6 p90 175.22 174.61 0.23 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.541 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -117.19 164.01 15.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.008 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 69' ' ' SER . 0.9 OUTLIER -155.78 138.49 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 27' ' ' ASP . 90.5 m -99.27 152.32 20.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.392 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.726 HD22 ' CE2' ' A' ' 78' ' ' TYR . 1.6 mt -123.98 169.15 11.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.396 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -156.06 42.31 0.56 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.43 1.081 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -145.97 128.59 8.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.566 0.803 . . . . 0.0 110.385 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.5 Cg_endo -75.02 141.67 26.87 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.17 -179.89 18.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.4 t -106.34 122.98 47.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 110.378 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.726 ' CE2' HD22 ' A' ' 72' ' ' LEU . 21.8 m-30 -96.23 145.72 25.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.09 138.1 54.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.469 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 3.0 p90 -146.04 178.77 7.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.659 ' CZ ' HG22 ' A' ' 42' ' ' ILE . 14.3 p90 -155.12 175.25 14.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.539 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 8.7 t -124.05 99.61 6.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 108.32 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.544 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -30.65 -58.96 0.31 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.35 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.623 ' C ' ' CG ' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -75.0 132.67 15.69 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.48 1.779 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.623 ' CG ' ' C ' ' A' ' 84' ' ' PRO . 0.4 OUTLIER 80.3 -3.94 1.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.617 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -42.37 -41.21 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.372 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.74 -36.97 88.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -63.32 -14.67 52.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.66 79.97 1.37 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 14' ' ' PRO . 5.3 ttt -129.89 84.88 2.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 0.758 . . . . 0.0 111.034 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.8 m -124.62 147.66 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.469 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -141.92 160.76 27.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.93 151.9 49.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 0.72 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.92 HD13 HG11 ' A' ' 29' ' ' VAL . 84.1 mt -143.97 117.85 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.829 HG22 ' HA ' ' A' ' 22' ' ' SER . 15.1 t -106.3 155.83 19.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.43 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.697 HG13 ' C ' ' A' ' 24' ' ' SER . 37.9 t -130.3 72.72 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.587 1.18 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m 62.49 93.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.999 ' CG2' HD21 ' A' ' 21' ' ' LEU . 15.0 m -120.6 174.66 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -143.53 146.1 33.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.502 ' HA ' HD13 ' A' ' 5' ' ' ILE . 7.6 mm -106.37 108.79 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.429 ' HG2' ' CG1' ' A' ' 32' ' ' VAL . 37.0 mttt -88.65 129.26 35.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.485 ' HB3' ' HE1' ' A' ' 90' ' ' MET . 4.8 mpp? -100.68 103.85 15.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.16 144.11 10.07 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.45 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 1.2 p -108.05 164.52 12.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 0.721 . . . . 0.0 110.388 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -63.66 -12.81 36.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.521 ' HE3' HD21 ' A' ' 15' ' ' LEU . 14.4 pttt -90.78 37.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 38.98 29.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.474 ' HB2' ' HG3' ' A' ' 11' ' ' LYS . . . -105.35 117.48 58.18 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.543 ' HG3' HG11 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -74.94 96.52 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.526 1.803 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.521 HD21 ' HE3' ' A' ' 11' ' ' LYS . 3.0 pp -150.2 156.97 42.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.422 ' N ' ' HG3' ' A' ' 90' ' ' MET . 4.1 m-85 -81.0 130.54 35.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.499 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 25.5 tt0 -139.58 134.01 16.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.01 139.3 60.94 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.032 -2.487 . . . . 0.0 111.023 0.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' PRO . 2.0 tttt -39.59 -39.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.42 145.18 50.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.999 HD21 ' CG2' ' A' ' 3' ' ' VAL . 12.1 tp -142.15 142.06 32.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.602 ' H ' HD12 ' A' ' 21' ' ' LEU . 8.7 t -128.93 143.83 51.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.968 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.771 HD12 ' HB2' ' A' ' 27' ' ' ASP . 18.8 pt -150.13 -175.48 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 1.009 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 8.1 m -106.67 170.18 8.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.163 . . . . 0.0 110.087 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.442 ' HA ' ' CG1' ' A' ' 96' ' ' VAL . . . -72.65 101.48 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.47 -3.29 9.51 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.771 ' HB2' HD12 ' A' ' 23' ' ' ILE . 8.9 m-20 -76.97 176.46 8.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.509 ' HG1' ' HG1' ' A' ' 71' ' ' THR . 12.1 m -122.67 154.64 37.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.638 HG12 ' CE1' ' A' ' 31' ' ' PHE . 73.2 t -132.47 103.15 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 5' ' ' ILE . 7.8 tt0 -80.02 170.2 16.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.586 1.179 . . . . 0.0 110.317 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.638 ' CE1' HG12 ' A' ' 29' ' ' VAL . 57.4 m-85 -148.97 118.07 6.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.874 HG23 ' HA ' ' A' ' 66' ' ' SER . 3.1 p -125.18 149.43 29.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.511 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 24.8 mtp -92.72 112.67 24.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.424 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.3 m120 -71.47 -67.54 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.74 -175.04 2.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.543 HG11 ' HG3' ' A' ' 14' ' ' PRO . 3.8 t 55.18 67.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.414 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -100.69 -172.47 29.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.563 1.164 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 178.5 34.41 Favored 'Cis proline' 0 C--N 1.361 1.211 0 C-N-CA 120.944 -2.523 . . . . 0.0 111.039 -0.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.511 ' CD2' ' HG2' ' A' ' 33' ' ' MET . 93.6 m-70 -133.5 -171.22 2.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.594 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -175.41 -173.2 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' ASN . 93.5 t -138.31 89.69 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.663 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 67.3 mt -122.22 100.87 9.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.44 ' N ' ' OG ' ' A' ' 56' ' ' SER . 98.1 m-85 -61.76 160.46 11.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.45 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 4.6 t70 -90.56 -50.56 5.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 4.2 mtmt 167.24 146.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.597 1.186 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 1.028 HG13 ' HB2' ' A' ' 52' ' ' ALA . 9.3 m -128.69 158.37 72.34 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 163.13 36.0 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.509 1.794 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.91 134.85 1.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.354 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.493 ' HA3' HG21 ' A' ' 74' ' ' THR . . . 135.46 -61.36 0.63 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.559 1.162 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.597 ' OE2' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -105.4 -172.83 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 110.327 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.4 m -131.72 78.32 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 1.028 ' HB2' HG13 ' A' ' 46' ' ' VAL . . . -54.38 -51.26 79.59 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.764 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.09 51.03 2.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -159.09 -48.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.597 HD12 ' OE2' ' A' ' 50' ' ' GLU . 13.2 mt -67.92 -21.08 65.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' A' ' 43' ' ' PHE . 3.0 m -50.7 167.17 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.975 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' VAL . 5.2 t-20 -160.57 108.1 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.1 t -89.54 21.3 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.453 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -85.75 55.67 3.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 60' ' ' LEU . 2.2 pp -40.45 127.5 2.38 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.35 117.21 30.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.2 tp -68.33 -43.95 84.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.54 120.17 12.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 131.15 14.08 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.85 -167.32 40.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.874 ' HA ' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -90.26 97.28 11.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 0.73 . . . . 0.0 110.011 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.469 ' CE2' ' SD ' ' A' ' 33' ' ' MET . 2.1 m-85 -37.51 -76.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -178.11 174.32 1.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.419 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -118.8 159.79 23.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.976 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 69' ' ' SER . 6.2 m -152.21 136.97 10.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.509 ' HG1' ' HG1' ' A' ' 28' ' ' THR . 1.9 m -95.88 147.2 23.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.96 172.45 9.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.58 -44.77 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.516 1.135 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.493 HG21 ' HA3' ' A' ' 49' ' ' GLY . 1.2 m -55.77 123.93 54.67 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.449 0.735 . . . . 0.0 110.405 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.95 143.83 29.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.26 -178.93 20.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.108 . . . . 0.0 111.058 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -103.81 125.26 50.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 110.392 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.775 ' CD2' HG11 ' A' ' 46' ' ' VAL . 7.1 m-85 -106.94 138.91 42.22 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.6 t -116.72 165.32 13.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.565 ' CE1' ' HA3' ' A' ' 92' ' ' GLY . 14.5 p90 -163.74 -178.05 5.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.663 ' CZ ' HG22 ' A' ' 42' ' ' ILE . 11.4 p90 -167.94 162.37 13.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 111.052 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.24 147.73 24.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.346 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.566 ' OG1' HD12 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -76.09 -54.95 1.92 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.446 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.02 -31.24 6.34 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.412 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 21.1 m80 -107.45 67.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.607 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -101.16 -27.48 13.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -99.32 -22.38 13.01 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.24 -10.9 55.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 80.24 54.83 3.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.485 ' HE1' ' HB3' ' A' ' 7' ' ' MET . 9.0 ttt -115.95 77.87 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 0.73 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.56 150.54 32.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 80' ' ' PHE . . . -142.15 -173.31 14.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.432 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 1.3 m -152.89 159.55 43.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.577 0.81 . . . . 0.0 110.424 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.448 HD12 ' CE2' ' A' ' 80' ' ' PHE . 5.8 mt -136.96 151.23 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' ILE . 2.7 m -130.43 138.4 50.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 53.8 t -124.79 85.94 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 1.009 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -158.27 155.1 28.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.955 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.921 HG21 HD11 ' A' ' 21' ' ' LEU . 3.0 m -126.79 177.35 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.29 148.23 36.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 5' ' ' ILE . 8.4 mm -113.34 110.99 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.532 ' HG2' HG13 ' A' ' 32' ' ' VAL . 23.2 mttt -91.21 128.92 37.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.498 ' HB3' ' HE1' ' A' ' 90' ' ' MET . 0.0 OUTLIER -101.55 98.61 8.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.05 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.64 150.41 9.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.81 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 30.4 p -115.06 155.9 26.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 110.363 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -60.17 -15.6 25.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.41 40.07 1.0 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.216 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 40.24 28.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.81 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -103.83 113.25 65.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.562 ' HG3' HG21 ' A' ' 36' ' ' VAL . 18.3 Cg_endo -75.07 89.38 1.17 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 89' ' ' GLY . 1.8 tt -140.58 170.77 15.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.589 1.18 . . . . 0.0 109.354 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.485 ' O ' HD23 ' A' ' 15' ' ' LEU . 3.6 m-85 -93.82 127.35 39.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 16.6 tt0 -131.42 130.64 22.58 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.472 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -74.98 151.84 97.44 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.959 -2.517 . . . . 0.0 110.982 -0.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -49.52 -39.86 35.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.76 152.1 44.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.921 HD11 HG21 ' A' ' 3' ' ' VAL . 11.1 tp -144.96 142.8 30.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.661 ' H ' HD12 ' A' ' 21' ' ' LEU . 9.9 t -129.57 143.09 50.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.675 HD12 ' HB2' ' A' ' 27' ' ' ASP . 12.9 pt -155.12 -175.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.471 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 5.0 p -120.9 169.34 10.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.472 1.107 . . . . 0.0 110.031 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.62 105.61 1.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.9 -7.26 8.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.675 ' HB2' HD12 ' A' ' 23' ' ' ILE . 37.5 m-20 -81.23 173.84 12.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.356 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 m -127.11 154.09 45.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 110.416 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.672 HG11 HD13 ' A' ' 94' ' ' ILE . 97.6 t -131.56 102.57 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 5' ' ' ILE . 12.2 tt0 -77.3 170.37 16.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.254 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 30' ' ' GLU . 39.8 m-85 -147.24 118.25 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.532 HG13 ' HG2' ' A' ' 6' ' ' LYS . 9.9 p -122.09 152.22 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.574 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 2.7 ttp -94.85 119.26 33.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.38 -65.78 0.91 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.492 ' C ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -171.19 -167.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.233 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.562 HG21 ' HG3' ' A' ' 14' ' ' PRO . 8.9 p 46.16 55.91 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.598 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -90.94 -171.81 43.51 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HB3' HD13 ' A' ' 62' ' ' ILE . 18.2 Cg_endo -75.03 -169.02 6.98 Favored 'Cis proline' 0 C--N 1.361 1.206 0 C-N-CA 120.925 -2.531 . . . . 0.0 111.0 -0.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.598 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 81.2 m-70 -145.52 -170.6 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.547 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 1.6 p30 171.84 167.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.744 ' O ' HD13 ' A' ' 42' ' ' ILE . 41.1 t -108.17 111.33 35.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.744 HD13 ' O ' ' A' ' 41' ' ' VAL . 6.5 mm -129.18 69.52 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -37.95 157.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.1 t70 -92.76 -49.07 6.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 1.8 mttt 167.51 149.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.954 HG22 ' HB2' ' A' ' 52' ' ' ALA . 30.0 m -131.14 159.1 73.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 48' ' ' ALA . 18.1 Cg_endo -75.02 160.45 40.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' PRO . . . -39.26 134.86 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.549 ' HA3' HG21 ' A' ' 74' ' ' THR . . . 134.79 -58.65 0.68 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.446 ' OE1' HD12 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -104.4 -172.18 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.59 0.818 . . . . 0.0 110.307 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.564 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -130.95 78.86 1.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.989 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.954 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -54.67 -50.41 85.82 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.718 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.2 Cg_endo -75.01 51.02 2.68 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.564 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -159.43 -45.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.24 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.446 HD12 ' OE1' ' A' ' 50' ' ' GLU . 13.6 mt -70.22 -28.25 65.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.47 94.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -83.88 116.54 22.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 t -90.28 35.65 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -99.76 74.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.64 103.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.667 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -81.07 108.01 14.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.373 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.485 HD13 ' HB3' ' A' ' 38' ' ' PRO . 26.0 mm -72.24 -49.12 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.34 114.04 27.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.43 21.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.43 55.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.485 ' HA ' HG23 ' A' ' 32' ' ' VAL . 2.6 m 55.21 89.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.968 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.667 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 2.0 m-85 -37.49 -83.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.438 1.087 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -171.1 174.77 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.17 159.02 26.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.023 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.5 m -148.52 136.23 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.3 m -96.52 121.16 38.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.5 HD22 ' N ' ' A' ' 72' ' ' LEU . 1.9 mm? -91.87 173.21 7.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -151.48 -63.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 111.056 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.549 HG21 ' HA3' ' A' ' 49' ' ' GLY . 2.0 m -45.39 130.5 6.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.434 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 144.52 30.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.78 -178.59 19.62 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.2 m -106.5 118.47 36.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.371 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.95 ' CD2' HG11 ' A' ' 46' ' ' VAL . 7.1 m-85 -93.4 139.67 30.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.386 1.054 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p -121.17 146.54 46.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.474 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 8.5 p90 -147.79 -173.57 4.32 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.743 ' CB ' HG12 ' A' ' 91' ' ' VAL . 15.8 p90 -172.15 166.15 6.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.89 123.85 37.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 108.341 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.506 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -53.27 -51.32 76.47 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.4 Cg_endo -74.9 -59.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.484 1.781 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.504 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 29.4 m80 -77.51 56.16 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.388 1.055 . . . . 0.0 109.574 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -90.28 -36.0 14.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.598 1.186 . . . . 0.0 110.335 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.34 -29.62 16.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.01 -13.94 60.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 0.733 . . . . 0.0 109.318 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.655 ' O ' HD12 ' A' ' 15' ' ' LEU . . . 81.93 83.02 0.83 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.498 ' HE1' ' HB3' ' A' ' 7' ' ' MET . 9.9 ttt -141.51 77.15 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 111.061 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.743 HG12 ' CB ' ' A' ' 81' ' ' TYR . 4.6 m -130.14 147.4 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.474 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -138.31 -171.64 12.25 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.546 1.154 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.4 m -147.0 160.21 42.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 110.411 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.672 HD13 HG11 ' A' ' 29' ' ' VAL . 94.9 mt -144.56 125.55 8.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.391 1.057 . . . . 0.0 109.266 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ILE . 64.0 m -106.89 143.84 34.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.375 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.734 ' O ' HG12 ' A' ' 96' ' ' VAL . 3.8 t -127.73 75.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.241 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.471 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 1.9 mt-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.612 1.195 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p 49.04 90.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.949 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 1.149 HG21 HD11 ' A' ' 21' ' ' LEU . 16.1 m -116.05 171.09 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.427 ' CB ' ' HB3' ' A' ' 30' ' ' GLU . 6.3 pt20 -136.69 164.53 28.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' GLU . 8.2 mm -123.81 117.81 52.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.585 1.178 . . . . 0.0 109.284 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.477 ' HG2' HG13 ' A' ' 32' ' ' VAL . 3.2 mtmt -99.16 133.83 42.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.423 ' HG2' ' CE ' ' A' ' 90' ' ' MET . 7.6 mtm -105.07 99.95 9.56 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.5 145.63 9.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.627 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 2.3 p -108.69 160.74 15.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 0.775 . . . . 0.0 110.35 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -60.15 -15.72 26.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' ALA . 6.3 ttmt -90.74 39.79 1.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.179 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 38.11 29.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.627 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -104.29 116.98 60.41 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.542 ' HG3' HG21 ' A' ' 36' ' ' VAL . 18.3 Cg_endo -75.01 95.06 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.418 1.746 . . . . 0.0 111.053 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.529 HD11 HG21 ' A' ' 9' ' ' THR . 1.8 pp -149.22 152.27 35.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.415 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 2.5 m-85 -78.09 128.28 33.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 14.4 tt0 -132.15 134.25 24.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.02 142.06 73.62 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.95 0.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -39.94 7.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.71 141.33 48.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.149 HD11 HG21 ' A' ' 3' ' ' VAL . 13.9 tp -142.99 139.22 30.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.366 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.423 ' C ' HG23 ' A' ' 23' ' ' ILE . 9.2 t -130.2 143.06 50.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.658 HG13 HG22 ' A' ' 96' ' ' VAL . 20.2 pt -151.87 -175.15 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.619 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 47.2 t -117.51 -176.38 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.02 102.66 10.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.32 -5.72 8.75 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.583 ' HB2' HD12 ' A' ' 23' ' ' ILE . 22.6 m-20 -77.85 174.02 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 m -121.88 160.14 25.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.778 HG11 HD13 ' A' ' 94' ' ' ILE . 89.9 t -136.68 104.31 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -79.41 167.99 20.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.108 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CE1' HG12 ' A' ' 29' ' ' VAL . 50.6 m-85 -148.8 125.0 10.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.878 HG23 ' HA ' ' A' ' 66' ' ' SER . 4.8 p -135.46 151.91 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.556 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 21.9 mtp -97.04 118.39 33.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.455 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.1 m120 -75.82 -66.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.51 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -169.03 -166.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.542 HG21 ' HG3' ' A' ' 14' ' ' PRO . 11.4 p 46.68 52.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.596 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -88.75 -170.15 45.23 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.452 1.095 . . . . 0.0 111.047 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.55 9.55 Favored 'Cis proline' 0 C--N 1.359 1.106 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.029 -0.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.596 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 84.7 m-70 -145.33 -169.71 3.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.544 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.525 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 2.7 p30 169.61 169.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.666 ' O ' HD13 ' A' ' 42' ' ' ILE . 86.4 t -110.03 113.82 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.231 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.666 HD13 ' O ' ' A' ' 41' ' ' VAL . 13.7 mm -134.4 70.52 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.436 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 82.0 m-85 -39.1 159.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 2.3 t70 -93.09 -49.96 5.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 5.8 mttt 167.58 149.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.976 HG22 ' HB2' ' A' ' 52' ' ' ALA . 27.8 m -130.17 159.01 72.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -74.92 161.53 38.8 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.591 1.837 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' PRO . . . -38.91 134.48 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 138.86 -58.55 0.61 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.552 1.157 . . . . 0.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.31 -170.99 1.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 0.763 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 m -128.6 78.33 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.976 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -50.19 -50.9 67.28 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.417 1.073 . . . . 0.0 109.274 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.735 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -75.1 51.2 2.76 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.41 -45.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.078 . . . . 0.0 109.349 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 55' ' ' LEU . 13.0 mt -67.87 -33.08 74.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.19 112.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -108.47 129.49 55.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.5 t -91.08 30.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -86.56 54.52 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.637 HD11 HD11 ' A' ' 62' ' ' ILE . 1.8 pp -41.52 119.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.69 109.71 20.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.637 HD11 HD11 ' A' ' 60' ' ' LEU . 25.8 mm -71.89 -50.51 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.68 147.08 94.32 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.252 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.54 21.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.46 -172.66 41.78 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.878 ' HA ' HG23 ' A' ' 32' ' ' VAL . 57.5 p -94.16 104.73 16.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 0.749 . . . . 0.0 110.06 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.525 ' CZ ' ' HA ' ' A' ' 40' ' ' ASN . 1.8 m-85 -37.14 -73.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.3 p90 173.42 173.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 111.041 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.42 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -111.95 156.2 22.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 110.041 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 69' ' ' SER . 2.2 m -151.67 138.01 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.541 1.15 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.3 m -90.56 155.05 19.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.6 mt -132.8 163.27 29.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.02 -49.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.42 ' HB ' ' OH ' ' A' ' 78' ' ' TYR . 1.0 OUTLIER -49.67 121.12 11.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.395 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.97 27.25 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.477 1.777 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.09 -179.22 19.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.2 t -99.94 123.25 43.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 0.746 . . . . 0.0 110.392 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.844 ' CD2' HG11 ' A' ' 46' ' ' VAL . 7.9 m-85 -100.17 134.38 43.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 m -120.39 140.02 51.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.493 ' N ' ' CD1' ' A' ' 80' ' ' PHE . 3.1 p90 -141.34 -171.07 3.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -172.24 168.55 5.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.96 114.13 25.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 108.306 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.509 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -43.47 -51.18 15.73 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.92 -61.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.452 1.764 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -77.77 71.12 4.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.612 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -99.7 -39.62 8.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.67 -21.82 38.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.13 -9.91 50.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.434 0.726 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.65 65.75 1.94 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.474 1.109 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.423 ' CE ' ' HG2' ' A' ' 7' ' ' MET . 8.4 ttt -127.24 77.26 1.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 0.733 . . . . 0.0 111.046 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.8 m -128.44 156.31 40.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.148 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.412 ' C ' ' CE1' ' A' ' 80' ' ' PHE . . . -146.52 -168.63 13.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.441 1.088 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -146.82 161.5 40.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 0.733 . . . . 0.0 110.387 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.778 HD13 HG11 ' A' ' 29' ' ' VAL . 58.6 mt -150.41 115.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.546 1.154 . . . . 0.0 109.38 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' ILE . 97.5 m -102.92 147.51 26.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.407 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.743 ' O ' HG12 ' A' ' 96' ' ' VAL . 6.0 t -127.63 72.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.619 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 58.55 111.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.092 . . . . 0.0 109.98 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.922 HG21 HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -115.86 174.02 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -144.0 153.61 42.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.492 HG21 ' CE2' ' A' ' 31' ' ' PHE . 5.6 mm -119.04 113.92 43.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.628 ' HG2' HG13 ' A' ' 32' ' ' VAL . 27.5 mttt -94.61 130.09 41.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.46 ' CE ' ' HB3' ' A' ' 31' ' ' PHE . 6.5 mtm -100.22 101.52 12.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.15 146.13 8.86 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.834 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 16.7 p -109.95 159.04 17.61 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 0.73 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -58.49 -16.99 17.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.18 40.65 1.01 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 38.35 29.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.056 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.834 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -101.71 115.47 64.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.746 ' HG3' HG11 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -75.03 85.8 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.551 1.816 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 89' ' ' GLY . 0.8 OUTLIER -137.49 171.07 15.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.411 1.069 . . . . 0.0 109.281 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.433 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.3 m-85 -94.66 128.86 41.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 24.6 tt0 -136.18 127.56 17.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.223 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.92 158.36 99.02 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.027 -0.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -61.92 -39.59 92.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.71 145.65 48.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.922 HD11 HG21 ' A' ' 3' ' ' VAL . 11.5 tp -141.74 140.85 33.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.609 ' H ' HD12 ' A' ' 21' ' ' LEU . 9.8 t -129.39 143.13 50.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.827 HD12 ' HB2' ' A' ' 27' ' ' ASP . 15.2 pt -153.16 -175.15 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 1.01 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 16.0 m -119.92 161.56 20.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 109.968 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.61 106.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.367 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.0 -8.24 8.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.827 ' HB2' HD12 ' A' ' 23' ' ' ILE . 6.6 m-20 -80.12 175.22 10.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.404 HG23 ' C ' ' A' ' 70' ' ' VAL . 28.9 m -128.72 157.65 40.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.521 HG13 ' CD2' ' A' ' 21' ' ' LEU . 61.9 t -136.45 109.6 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 5' ' ' ILE . 3.0 tm-20 -86.76 169.9 12.21 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 1.11 . . . . 0.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.492 ' CE2' HG21 ' A' ' 5' ' ' ILE . 38.2 m-85 -147.57 120.77 8.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.628 HG13 ' HG2' ' A' ' 6' ' ' LYS . 10.0 p -124.28 156.11 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.429 ' CG ' ' CD2' ' A' ' 39' ' ' HIS . 1.9 ttp -96.4 124.5 40.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.491 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.3 m120 -86.27 -62.0 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.16 -171.58 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.746 HG11 ' HG3' ' A' ' 14' ' ' PRO . 2.6 t 47.19 61.38 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.58 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -99.4 -173.25 31.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.593 1.183 . . . . 0.0 111.032 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -169.19 7.13 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.018 -0.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.58 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 75.8 m-70 -143.99 -169.93 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.63 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.9 OUTLIER 179.37 163.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 56' ' ' SER . 26.5 t -108.84 84.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.99 HD12 ' OG1' ' A' ' 83' ' ' THR . 22.8 mt -108.8 91.24 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -56.67 163.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 7.0 t0 -93.63 -50.11 5.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 1.1 mttt 167.83 147.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.91 HG13 ' HB2' ' A' ' 52' ' ' ALA . 15.0 m -128.31 158.26 71.94 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 162.37 37.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.425 1.75 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.83 132.43 1.73 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.428 1.08 . . . . 0.0 109.333 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.775 ' HA3' HG21 ' A' ' 74' ' ' THR . . . 137.64 -67.43 0.53 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.432 ' HB3' HG21 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -94.63 -173.04 2.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.255 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.55 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -128.98 77.11 1.77 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.991 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.91 ' HB2' HG13 ' A' ' 46' ' ' VAL . . . -55.28 -52.79 68.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.793 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.92 51.02 2.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.55 1.816 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.55 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -157.9 -45.57 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.596 1.185 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.29 -31.05 69.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 1.5 m -44.09 129.36 6.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -127.8 86.07 2.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.457 ' CB ' HD11 ' A' ' 42' ' ' ILE . 9.7 t -57.8 -16.43 11.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 95.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.2 OUTLIER -67.53 96.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.838 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -83.5 102.61 12.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.475 HG23 ' N ' ' A' ' 63' ' ' ALA . 10.0 tp -72.87 -51.94 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.475 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -39.66 100.05 0.21 Allowed Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.08 131.68 14.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.2 -57.75 0.13 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.594 1.184 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.615 ' HA ' HG23 ' A' ' 32' ' ' VAL . 17.8 p 173.36 91.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.838 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 1.9 m-85 -37.63 -83.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -177.16 178.64 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.82 ' O ' HG13 ' A' ' 70' ' ' VAL . 11.4 t -125.74 -179.47 4.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.82 HG13 ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -168.83 141.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 27' ' ' ASP . 52.2 m -100.32 145.23 28.39 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 110.37 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.6 mt -120.16 173.05 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.85 -44.54 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.125 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.775 HG21 ' HA3' ' A' ' 49' ' ' GLY . 14.3 m -61.02 129.99 90.89 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 0.0 110.443 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.0 145.35 31.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.553 1.817 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.14 -179.89 20.33 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.8 t -107.89 122.3 46.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.79 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.573 ' CD2' HG11 ' A' ' 46' ' ' VAL . 30.2 m-85 -97.84 132.5 43.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -114.98 143.55 44.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.566 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 13.2 p90 -144.03 -176.28 4.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.386 1.054 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.535 ' CB ' HG12 ' A' ' 91' ' ' VAL . 14.9 p90 -172.91 152.75 2.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -83.99 140.88 31.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 108.324 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.99 ' OG1' HD12 ' A' ' 42' ' ' ILE . 1.2 m -77.9 -45.8 2.34 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.377 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -74.98 -38.45 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.593 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 31.5 m80 -105.67 45.25 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.632 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -79.08 -36.6 40.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.25 -24.03 25.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.18 -11.23 58.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.751 ' O ' HD12 ' A' ' 15' ' ' LEU . . . 82.53 71.25 1.31 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 16' ' ' TYR . 14.4 ttt -134.76 84.6 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.753 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.535 HG12 ' CB ' ' A' ' 81' ' ' TYR . 3.2 m -133.01 156.04 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.566 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -147.14 -171.51 16.4 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.445 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -152.28 156.73 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 0.717 . . . . 0.0 110.351 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.569 HG12 HD23 ' A' ' 21' ' ' LEU . 14.6 mt -138.8 134.88 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' ILE . 5.7 m -116.19 140.27 49.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.739 ' O ' HG12 ' A' ' 96' ' ' VAL . 4.2 t -124.8 74.83 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 1.01 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.9 p -58.84 125.27 22.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.852 HG21 HD11 ' A' ' 21' ' ' LEU . 35.5 m -111.81 167.24 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -131.78 147.28 52.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.571 ' HB ' ' CD1' ' A' ' 31' ' ' PHE . 14.3 mm -115.31 107.53 23.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.73 ' HG2' HG13 ' A' ' 32' ' ' VAL . 10.2 mttp -84.97 137.58 33.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 3.8 mpp? -99.98 110.31 22.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 101.35 162.39 27.31 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.882 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 2.8 p -124.69 156.67 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.424 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -61.14 -15.04 29.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.22 41.37 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 38.88 30.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.882 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -102.24 107.59 53.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.406 ' C ' ' SD ' ' A' ' 90' ' ' MET . 18.5 Cg_endo -75.06 78.08 3.0 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.686 HD23 ' HB1' ' A' ' 13' ' ' ALA . 2.2 pp -141.25 160.91 39.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.424 ' N ' ' HG3' ' A' ' 90' ' ' MET . 5.7 m-85 -77.09 139.85 40.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.514 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 22.6 tt0 -142.98 134.15 12.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.234 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.514 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.03 141.5 71.91 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 121.011 -2.496 . . . . 0.0 110.931 -0.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' PRO . 1.1 mttt -39.0 -36.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.34 150.41 49.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.852 HD11 HG21 ' A' ' 3' ' ' VAL . 12.7 tp -147.47 145.3 29.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.528 ' H ' HD12 ' A' ' 21' ' ' LEU . 7.9 t -130.55 144.87 51.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.545 HG13 HG22 ' A' ' 96' ' ' VAL . 15.5 pt -155.42 -175.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.706 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 7.8 m -123.64 164.4 19.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.047 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.19 106.04 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.31 -8.38 8.45 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.487 ' HB2' HD12 ' A' ' 23' ' ' ILE . 8.8 m-20 -80.02 174.01 12.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.3 m -122.68 150.61 42.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.405 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.949 HG11 HD13 ' A' ' 94' ' ' ILE . 75.3 t -129.68 92.28 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -71.75 168.19 18.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.319 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 5' ' ' ILE . 66.5 m-85 -146.41 125.77 13.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.843 HG23 ' HA ' ' A' ' 66' ' ' SER . 8.0 p -137.06 148.43 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.393 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.488 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 7.9 mtp -78.09 113.92 16.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -73.54 -67.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.738 ' C ' HG23 ' A' ' 36' ' ' VAL . 7.4 tttt -175.48 146.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.738 HG23 ' C ' ' A' ' 35' ' ' LYS . 2.8 t 85.4 69.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.439 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -99.13 -171.26 31.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 174.71 51.29 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.91 0.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.488 ' CD2' ' HG2' ' A' ' 33' ' ' MET . 93.7 m-70 -131.09 -171.14 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.628 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.432 ' ND2' HG12 ' A' ' 42' ' ' ILE . 27.6 p-10 -176.9 -166.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.4 t -143.05 89.82 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.397 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.846 HD13 ' HB3' ' A' ' 56' ' ' SER . 18.2 mm -120.95 97.67 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -64.64 160.48 19.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.451 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -89.67 -48.64 7.14 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER 166.87 145.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.831 HG22 ' HB2' ' A' ' 52' ' ' ALA . 21.0 m -127.72 158.27 70.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -75.04 161.08 39.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.556 1.819 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' PRO . . . -39.88 136.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.464 ' HA3' ' CG2' ' A' ' 74' ' ' THR . . . 134.94 -54.58 0.75 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.729 ' OE2' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -109.86 -172.87 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 110.313 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.2 m -128.78 77.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.831 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -55.48 -52.95 67.53 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.8 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -74.99 50.94 2.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.453 1.765 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -159.46 -45.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.729 HD11 ' OE2' ' A' ' 50' ' ' GLU . 9.7 mt -68.01 -27.15 66.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.846 ' HB3' HD13 ' A' ' 42' ' ' ILE . 1.8 m -48.72 111.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.026 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -106.56 120.48 42.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.479 ' O ' HD23 ' A' ' 60' ' ' LEU . 8.9 t -90.33 23.7 2.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.44 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -85.5 57.88 4.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -54.2 119.57 5.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.24 120.33 26.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.6 mm -69.47 -46.13 76.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.99 152.63 59.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 132.44 15.5 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.433 1.754 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 178.6 166.86 35.44 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.843 ' HA ' HG23 ' A' ' 32' ' ' VAL . 34.7 t -76.02 96.33 3.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 0.721 . . . . 0.0 110.074 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' SER . 6.0 m-85 -37.57 -86.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -167.94 174.27 7.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.52 150.69 43.66 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.525 1.14 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.478 HG23 HD21 ' A' ' 72' ' ' LEU . 32.0 m -145.67 136.4 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.572 ' C ' HD22 ' A' ' 72' ' ' LEU . 2.7 m -92.34 128.25 38.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.096 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -102.57 173.68 6.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.57 -51.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.464 ' CG2' ' HA3' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -46.74 124.96 8.01 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 0.0 110.385 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.02 141.4 26.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.54 1.811 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.79 -179.24 19.43 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.1 t -103.68 121.54 43.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 0.741 . . . . 0.0 110.451 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.8 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.9 m-85 -97.7 135.1 39.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p -114.17 148.44 37.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.177 . . . . 0.0 110.002 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.489 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 1.9 p90 -153.03 174.74 13.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.969 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.559 ' CB ' HG12 ' A' ' 91' ' ' VAL . 16.3 p90 -164.01 157.43 18.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.392 1.058 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.25 131.13 35.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.593 1.183 . . . . 0.0 108.271 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.52 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -62.78 -50.58 76.97 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.5 Cg_endo -74.87 -49.01 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.5 1.789 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.492 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 29.8 m80 -88.05 44.48 1.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.639 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -81.63 -38.97 25.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.4 -30.47 16.17 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.26 -14.75 61.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 0.789 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 85.67 86.83 0.98 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.459 ' CG ' ' HA ' ' A' ' 15' ' ' LEU . 8.0 ttt -148.42 78.42 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 0.717 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.559 HG12 ' CB ' ' A' ' 81' ' ' TYR . 15.8 m -124.25 146.76 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.489 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -138.96 175.04 21.8 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.486 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 1.2 m -138.58 158.68 43.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 110.431 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.949 HD13 HG11 ' A' ' 29' ' ' VAL . 94.1 mt -146.13 128.0 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' ILE . 92.7 m -108.78 145.67 34.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.391 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.733 ' O ' HG12 ' A' ' 96' ' ' VAL . 3.1 t -128.82 77.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.706 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p 171.71 109.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 109.998 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.878 HG21 HD11 ' A' ' 21' ' ' LEU . 2.6 m -115.18 177.35 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -144.86 158.58 43.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -133.45 125.53 50.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 0.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.401 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 16.0 mttp -97.46 122.42 40.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.588 1.18 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.746 ' HE3' ' CE1' ' A' ' 16' ' ' TYR . 8.1 mtp -87.9 100.39 12.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.45 148.29 9.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.567 HG21 HD11 ' A' ' 15' ' ' LEU . 1.7 p -113.21 161.53 17.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 0.0 110.365 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.11 -13.19 33.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.45 ' HG3' ' CB ' ' A' ' 13' ' ' ALA . 4.9 ptpt -90.66 38.37 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 37.86 33.39 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.45 ' CB ' ' HG3' ' A' ' 11' ' ' LYS . . . -112.09 118.06 46.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.452 ' HG3' HG21 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -75.02 97.8 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.567 HD11 HG21 ' A' ' 9' ' ' THR . 1.3 pp -149.29 151.89 34.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.746 ' CE1' ' HE3' ' A' ' 7' ' ' MET . 27.7 m-85 -77.24 132.59 38.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 6.6 tt0 -132.83 131.18 21.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -75.01 158.47 98.97 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.035 0.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -39.62 62.32 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.71 147.56 48.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.878 HD11 HG21 ' A' ' 3' ' ' VAL . 8.4 tp -142.01 141.05 32.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.225 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.724 ' H ' HD12 ' A' ' 21' ' ' LEU . 9.7 t -129.93 143.21 50.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.804 HD12 ' HB2' ' A' ' 27' ' ' ASP . 11.6 pt -153.7 -174.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.379 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 p -122.9 171.18 9.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.579 1.174 . . . . 0.0 110.038 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.37 101.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.73 -4.13 7.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.804 ' HB2' HD12 ' A' ' 23' ' ' ILE . 9.8 m-20 -82.73 175.83 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 0.729 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.4 m -129.86 157.01 43.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.373 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.824 HG11 HD13 ' A' ' 94' ' ' ILE . 48.1 t -134.98 107.67 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -89.02 148.25 23.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 0.0 110.254 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.411 ' N ' ' OE2' ' A' ' 30' ' ' GLU . 61.6 m-85 -126.36 122.4 35.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.873 HG23 ' CB ' ' A' ' 66' ' ' SER . 2.2 p -128.08 139.2 52.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.363 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 45.7 mtp -86.49 113.44 22.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.34 -67.59 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.506 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -166.93 -164.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 35' ' ' LYS . 7.9 p 46.41 58.86 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.576 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -92.69 -171.64 40.78 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.453 ' HB3' HD13 ' A' ' 62' ' ' ILE . 18.3 Cg_endo -75.03 -171.2 9.06 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.94 0.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.576 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 90.1 m-70 -145.48 -171.34 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.635 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.543 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 38.1 p-10 179.77 -154.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 57' ' ' ASN . 90.0 t -152.93 98.51 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.573 HD13 ' HB2' ' A' ' 56' ' ' SER . 18.3 mm -120.03 77.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.453 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 96.7 m-85 -45.38 155.92 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 7.1 t0 -87.64 -54.23 4.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 3.2 mttp 169.32 147.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.062 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.925 ' HB ' ' HB2' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -128.07 163.09 46.08 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.872 ' HD2' HG22 ' A' ' 46' ' ' VAL . 18.4 Cg_endo -74.99 160.54 40.05 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.585 1.834 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -43.02 133.71 3.66 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.72 -49.68 0.88 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.79 -172.0 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.584 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -133.98 79.96 1.84 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.925 ' HB2' ' HB ' ' A' ' 46' ' ' VAL . . . -54.73 -52.62 68.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.248 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.786 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.03 51.17 2.73 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 110.995 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.584 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -157.65 -45.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.09 -17.17 64.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.241 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.573 ' HB2' HD13 ' A' ' 42' ' ' ILE . 2.0 p -53.59 148.13 10.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.973 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -115.53 112.39 22.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.2 t -90.3 23.63 2.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.407 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -108.82 74.59 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -50.75 113.85 1.01 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.74 110.69 15.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.453 HD13 ' HB3' ' A' ' 38' ' ' PRO . 40.4 mm -74.23 -50.41 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . . . -74.07 140.31 76.87 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 63' ' ' ALA . 18.1 Cg_endo -74.99 147.9 34.59 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.408 ' C ' ' HG ' ' A' ' 66' ' ' SER . . . 172.34 -110.37 0.34 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.873 ' CB ' HG23 ' A' ' 32' ' ' VAL . 2.5 m -168.3 106.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 0.741 . . . . 0.0 109.997 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.543 ' CZ ' ' HA ' ' A' ' 40' ' ' ASN . 24.0 m-85 -39.88 -87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.625 1.203 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.45 ' CE2' ' ND2' ' A' ' 57' ' ' ASN . 11.3 p90 -178.4 -178.08 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.45 159.21 21.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -150.19 143.43 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.2 m -98.99 141.7 31.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.8 mt -113.87 171.43 7.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -152.93 -50.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.412 ' HB ' ' OH ' ' A' ' 78' ' ' TYR . 1.2 m -50.96 126.56 25.48 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.45 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 141.38 26.65 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.07 -178.51 20.14 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 52.5 m -104.02 118.73 37.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.785 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.903 ' CD2' HG21 ' A' ' 46' ' ' VAL . 7.1 m-85 -91.82 134.18 34.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p -119.32 147.3 44.46 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.456 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 12.2 p90 -154.66 -170.78 3.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.484 ' HB3' HG12 ' A' ' 91' ' ' VAL . 8.2 p90 -178.82 169.57 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.56 151.27 21.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 108.274 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.45 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -76.56 -54.88 1.71 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.382 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.45 ' HD3' ' CB ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.04 -46.35 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.575 1.829 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.44 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 21.2 m80 -86.47 48.04 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.564 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -84.77 -23.71 29.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -102.42 -22.93 9.28 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.73 -12.31 58.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.17 53.9 3.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.487 ' HE1' ' HB3' ' A' ' 7' ' ' MET . 8.1 ttt -111.74 75.42 0.92 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.578 0.81 . . . . 0.0 111.075 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.484 HG12 ' HB3' ' A' ' 81' ' ' TYR . 17.4 m -122.43 147.67 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.456 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -142.24 -175.64 15.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.431 ' N ' ' CE1' ' A' ' 80' ' ' PHE . 1.6 m -149.95 160.91 43.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 110.351 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.824 HD13 HG11 ' A' ' 29' ' ' VAL . 81.7 mt -147.88 117.86 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 23' ' ' ILE . 18.6 m -101.49 146.01 28.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.756 ' O ' HG12 ' A' ' 96' ' ' VAL . 3.9 t -127.35 74.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.782 ' HG3' ' OXT' ' A' ' 97' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.464 ' HB1' ' CG ' ' A' ' 27' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 m -177.82 111.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.877 HG21 HD11 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -109.32 175.77 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.409 1.068 . . . . 0.0 109.249 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -141.65 159.33 42.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.331 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.524 ' HB ' ' CD2' ' A' ' 31' ' ' PHE . 9.2 mm -126.09 112.65 30.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.381 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.616 ' HG2' HG13 ' A' ' 32' ' ' VAL . 4.0 mtmt -91.13 136.42 33.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.497 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 9.5 mtm -105.38 98.2 7.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.432 1.083 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.05 149.61 8.39 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.547 1.154 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.751 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 6.7 p -115.4 152.07 33.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -58.67 -16.56 16.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -90.09 40.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' LYS . 76.6 m-85 37.7 51.89 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.587 1.18 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.751 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -130.94 116.92 17.04 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.44 ' HB2' ' CG ' ' A' ' 85' ' ' HIS . 18.1 Cg_endo -75.06 91.47 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.53 1.805 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.711 HD11 HG21 ' A' ' 9' ' ' THR . 2.7 pp -146.06 153.95 41.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.497 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 17.0 m-85 -80.13 125.27 29.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 43.8 tt0 -129.88 130.46 23.16 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.04 152.0 97.59 Favored 'Cis proline' 0 C--N 1.361 1.212 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.023 0.06 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -61.12 -36.81 80.74 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.429 1.081 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 19' ' ' LYS . . . -117.67 140.73 49.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.877 HD11 HG21 ' A' ' 3' ' ' VAL . 12.7 tp -145.39 143.03 29.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.508 ' H ' HD12 ' A' ' 21' ' ' LEU . 10.6 t -130.65 142.94 50.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.581 HG13 HG22 ' A' ' 96' ' ' VAL . 30.6 pt -151.82 -175.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.9 m -121.63 165.42 15.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.44 106.18 0.88 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.13 -8.56 8.52 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.436 1.085 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.501 ' HB2' HD12 ' A' ' 23' ' ' ILE . 6.2 m-20 -80.47 173.7 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.47 HG23 ' C ' ' A' ' 70' ' ' VAL . 36.1 m -126.85 158.8 35.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.773 HG11 ' CD1' ' A' ' 94' ' ' ILE . 71.6 t -136.21 112.17 12.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 5' ' ' ILE . 39.7 tt0 -88.32 167.96 13.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.524 ' CD2' ' HB ' ' A' ' 5' ' ' ILE . 80.1 m-85 -146.21 121.05 9.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 111.059 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.616 HG13 ' HG2' ' A' ' 6' ' ' LYS . 9.7 p -124.25 151.29 29.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.1 ttp -95.96 116.02 28.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.441 ' C ' ' HG3' ' A' ' 35' ' ' LYS . 1.7 m120 -74.82 -70.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.721 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -167.49 -167.05 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.721 HG12 ' O ' ' A' ' 35' ' ' LYS . 7.6 p 50.43 41.05 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.621 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -80.02 -171.11 42.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -166.76 5.13 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.997 0.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.621 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 82.5 m-70 -148.18 -170.58 3.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.664 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.568 ' ND2' HD12 ' A' ' 42' ' ' ILE . 10.1 p-10 -171.5 -178.63 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.6 t -132.69 88.73 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.568 HD12 ' ND2' ' A' ' 40' ' ' ASN . 70.0 mt -120.09 103.26 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.412 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 97.5 m-85 -68.94 157.59 36.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -85.45 -49.5 8.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.229 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER 167.25 149.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.97 HG11 ' CD2' ' A' ' 78' ' ' TYR . 28.4 m -128.71 158.66 71.47 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -75.05 163.35 35.39 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.53 1.805 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 47' ' ' PRO . . . -39.41 133.7 1.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 74' ' ' THR . . . 137.59 -65.61 0.55 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.456 1.098 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.04 -172.37 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.774 . . . . 0.0 110.289 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.0 m -129.65 77.66 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.569 1.168 . . . . 0.0 110.005 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.904 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -50.71 -51.87 61.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -74.99 50.76 2.61 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.18 -45.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.0 mt -69.34 -30.77 68.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 m -44.11 167.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.377 1.048 . . . . 0.0 109.966 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -169.8 110.63 0.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.133 . . . . 0.0 109.353 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 t -89.31 38.93 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.17 . . . . 0.0 110.402 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -98.63 72.02 1.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.39 108.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.601 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -99.33 107.31 19.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ALA . 7.4 tp -69.42 -47.58 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -39.9 100.23 0.21 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 62' ' ' ILE . 18.3 Cg_endo -74.93 132.03 15.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.441 1.759 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.498 ' O ' HG23 ' A' ' 32' ' ' VAL . . . 172.9 -79.46 0.08 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.113 . . . . 0.0 111.046 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.525 ' HA ' HG23 ' A' ' 32' ' ' VAL . 5.1 m -168.43 97.03 0.41 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.581 0.812 . . . . 0.0 109.991 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.601 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 5.1 m-85 -43.43 -85.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -175.91 177.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.8 ' O ' HG13 ' A' ' 70' ' ' VAL . 11.4 t -123.68 -179.4 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.8 HG13 ' O ' ' A' ' 69' ' ' SER . 2.7 m -163.25 139.31 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.478 ' C ' HD22 ' A' ' 72' ' ' LEU . 24.2 m -96.55 118.74 33.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.606 HD22 ' N ' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -98.92 173.53 6.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.684 ' O ' HG11 ' A' ' 96' ' ' VAL . . . -155.07 -59.93 0.01 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.466 ' CG2' ' HA3' ' A' ' 49' ' ' GLY . 1.2 m -38.85 131.56 1.13 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.596 0.821 . . . . 0.0 110.48 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 147.09 33.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 135.18 -178.77 18.31 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.576 1.173 . . . . 0.0 110.964 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.1 m -107.93 119.21 38.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 110.392 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.97 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.9 m-85 -93.99 133.6 37.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 p -116.73 148.64 40.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.564 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 6.7 p90 -151.27 -174.9 4.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.411 ' CZ ' HG22 ' A' ' 42' ' ' ILE . 17.3 p90 -170.82 164.68 7.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.23 150.82 23.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.228 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.487 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.6 OUTLIER -79.12 -52.46 1.19 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.0 Cg_endo -75.04 -46.91 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.44 ' CG ' ' HB2' ' A' ' 14' ' ' PRO . 23.3 m80 -89.51 49.16 1.7 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.557 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -83.33 -31.1 27.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.367 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.77 -21.53 18.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.13 -13.4 61.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 0.728 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.91 60.23 1.98 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.552 1.158 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.43 ' CG ' ' HA ' ' A' ' 15' ' ' LEU . 8.7 ttt -119.18 81.42 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.776 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.493 HG12 ' H ' ' A' ' 92' ' ' GLY . 0.8 OUTLIER -112.2 176.84 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.564 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -170.23 176.9 43.76 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.463 ' N ' ' CE1' ' A' ' 80' ' ' PHE . 1.7 m -153.15 162.03 41.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.773 ' CD1' HG11 ' A' ' 29' ' ' VAL . 56.1 mt -151.65 122.64 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' ILE . 95.7 m -104.22 146.6 28.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.387 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.752 ' O ' HG12 ' A' ' 96' ' ' VAL . 4.1 t -126.71 74.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 23' ' ' ILE . 1.9 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.234 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m 65.29 78.65 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.832 HG21 HD11 ' A' ' 21' ' ' LEU . 32.0 m -110.18 176.78 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -146.47 158.42 43.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.578 HD13 ' HD2' ' A' ' 18' ' ' PRO . 11.7 mm -123.42 111.65 30.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.58 ' HG2' HG13 ' A' ' 32' ' ' VAL . 7.0 mttp -89.14 142.36 27.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.421 ' HE1' ' HB3' ' A' ' 31' ' ' PHE . 12.5 mtm -110.28 100.13 9.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.07 154.74 11.2 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.847 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 2.0 p -117.88 156.54 28.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -58.28 -17.03 16.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.605 1.19 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 13' ' ' ALA . 9.2 mttt -90.12 41.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 38.25 30.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.847 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -101.58 112.49 65.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.604 ' HG3' HG11 ' A' ' 36' ' ' VAL . 18.3 Cg_endo -75.0 82.87 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.423 1.749 . . . . 0.0 111.058 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.475 HD23 ' HB1' ' A' ' 13' ' ' ALA . 3.7 pp -141.05 156.63 45.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.511 ' CD2' ' HG2' ' A' ' 90' ' ' MET . 9.4 m-85 -78.31 137.92 38.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.486 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 8.9 tt0 -142.34 131.37 11.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.578 ' HD2' HD13 ' A' ' 5' ' ' ILE . 18.5 Cg_endo -74.94 150.48 95.52 Favored 'Cis proline' 0 C--N 1.361 1.207 0 C-N-CA 121.032 -2.487 . . . . 0.0 110.996 -0.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -47.45 -40.07 17.23 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.573 1.171 . . . . 0.0 109.278 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.38 152.04 46.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.832 HD11 HG21 ' A' ' 3' ' ' VAL . 8.7 tp -144.69 143.54 30.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.759 ' H ' HD12 ' A' ' 21' ' ' LEU . 10.1 t -128.06 142.92 51.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.561 HG13 HG22 ' A' ' 96' ' ' VAL . 20.5 pt -152.84 -175.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.587 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 13.7 m -118.71 173.34 6.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 110.081 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.25 104.09 3.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.91 -5.2 9.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.468 ' HB2' HD12 ' A' ' 23' ' ' ILE . 17.2 m-20 -81.93 173.11 12.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.448 HG23 ' C ' ' A' ' 70' ' ' VAL . 32.4 m -123.09 158.24 31.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.445 1.091 . . . . 0.0 110.436 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.053 HG11 ' CD1' ' A' ' 94' ' ' ILE . 73.8 t -134.22 104.54 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 5' ' ' ILE . 3.3 tt0 -79.89 167.45 20.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.642 ' CE1' HG12 ' A' ' 29' ' ' VAL . 60.9 m-85 -147.51 127.97 14.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.672 HG23 ' HA ' ' A' ' 66' ' ' SER . 7.4 p -134.43 154.32 37.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 61' ' ' ALA . 16.9 mtp -98.96 110.32 22.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -69.36 -68.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' O ' ' NE2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -166.56 -167.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.087 . . . . 0.0 109.342 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.604 HG11 ' HG3' ' A' ' 14' ' ' PRO . 1.9 t 49.22 50.3 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.574 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -99.09 -167.57 30.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.158 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.447 ' HG3' ' CD1' ' A' ' 62' ' ' ILE . 18.3 Cg_endo -74.98 178.92 32.53 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.961 -2.516 . . . . 0.0 111.023 -0.106 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.574 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 33.7 m-70 -134.26 -171.05 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 2.1 p30 -175.56 166.55 3.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.437 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 92.6 t -109.46 108.55 25.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.572 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 4.5 mm -129.47 76.26 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CE1' ' CG1' ' A' ' 41' ' ' VAL . 75.7 m-85 -48.68 168.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.45 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 8.6 t0 -104.79 -50.15 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER 167.94 142.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.907 HG11 ' CD2' ' A' ' 78' ' ' TYR . 5.3 m -127.71 154.71 77.87 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.551 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -74.99 169.42 22.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 47' ' ' PRO . . . 74.02 -177.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.07 42.08 3.13 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.049 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.09 -172.83 2.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.257 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.681 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -123.83 74.44 1.28 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.03 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.837 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -77.17 -52.72 1.8 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.785 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -74.98 0.43 8.9 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.545 1.813 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.681 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -105.7 -35.93 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.2 mt -67.79 -39.95 83.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.12 126.5 14.7 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -127.83 130.46 48.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 t -89.5 20.16 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -88.31 65.14 7.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 39' ' ' HIS . 0.2 OUTLIER -54.93 131.38 44.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.4 ' O ' ' SD ' ' A' ' 33' ' ' MET . . . -91.32 123.54 34.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.447 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 5.8 mm -84.81 -45.39 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.419 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . . . -78.4 142.93 63.35 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 63' ' ' ALA . 18.2 Cg_endo -75.11 176.28 10.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.432 1.754 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.413 ' O ' HG23 ' A' ' 32' ' ' VAL . . . 138.26 -85.94 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.539 1.15 . . . . 0.0 111.015 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.672 ' HA ' HG23 ' A' ' 32' ' ' VAL . 22.3 p 178.4 106.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 0.757 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 66' ' ' SER . 1.0 OUTLIER -37.32 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.7 p90 177.68 173.95 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.424 ' CB ' ' HG3' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -116.37 155.46 28.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.056 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.448 ' C ' HG23 ' A' ' 28' ' ' THR . 0.6 OUTLIER -148.3 138.89 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.338 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 76.2 m -104.74 150.56 24.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.4 mt -117.28 170.95 8.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -156.63 34.35 0.58 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.452 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 47.0 m -151.38 135.52 9.68 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.642 0.848 . . . . 0.0 110.377 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.6 Cg_endo -74.94 151.43 39.85 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.426 1.751 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.63 -179.77 18.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.8 t -109.08 126.91 53.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.609 0.829 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.907 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.7 m-85 -106.92 131.05 54.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.9 t -110.8 163.44 13.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.576 ' CZ ' ' N ' ' A' ' 93' ' ' THR . 5.5 p90 -171.51 175.83 3.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.572 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 9.1 p90 -154.59 -173.18 4.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.526 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 9.9 t -133.47 96.13 3.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.462 1.101 . . . . 0.0 108.236 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.518 ' C ' ' O ' ' A' ' 82' ' ' CYS . 0.8 OUTLIER -28.99 -57.48 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.408 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.614 ' C ' ' CG ' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -74.93 131.98 15.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.068 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.614 ' CG ' ' C ' ' A' ' 84' ' ' PRO . 0.1 OUTLIER 80.3 -4.02 1.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.623 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 87' ' ' GLY . 17.7 ptt180 -41.31 -46.06 3.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.59 1.181 . . . . 0.0 110.313 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.428 ' N ' ' HG3' ' A' ' 86' ' ' ARG . . . -65.05 -36.81 93.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -63.15 -13.5 37.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.96 85.93 1.41 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.511 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 3.9 ttt -138.42 84.86 2.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 0.752 . . . . 0.0 111.092 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.5 m -120.74 159.82 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.233 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.475 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -156.24 172.6 34.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.614 1.196 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.576 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 2.5 m -153.72 163.47 39.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 0.734 . . . . 0.0 110.448 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.053 ' CD1' HG11 ' A' ' 29' ' ' VAL . 69.4 mt -148.63 129.44 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' ILE . 87.3 m -111.7 146.44 37.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.677 ' O ' HG12 ' A' ' 96' ' ' VAL . 20.3 t -125.0 73.04 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.587 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 1.1 mm-40 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m -126.35 148.11 49.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.873 HG21 HD21 ' A' ' 21' ' ' LEU . 26.3 m -109.7 177.59 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.27 157.97 43.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.47 ' HA ' HD13 ' A' ' 5' ' ' ILE . 4.1 mm -120.79 116.94 51.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.581 ' HG2' HG13 ' A' ' 32' ' ' VAL . 2.4 mtmp? -96.17 139.12 32.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.566 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 18.6 mtm -112.85 111.69 22.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.38 142.33 13.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.879 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 1.4 p -101.78 156.12 17.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 110.338 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -54.52 -19.7 6.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -89.4 40.49 0.99 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.407 ' C ' HG21 ' A' ' 36' ' ' VAL . 81.3 m-85 39.21 29.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.879 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -100.06 120.73 56.06 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.471 ' CD ' HG11 ' A' ' 36' ' ' VAL . 18.1 Cg_endo -75.16 103.19 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.728 HD11 ' CG2' ' A' ' 9' ' ' THR . 2.2 pp -163.21 149.46 12.1 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.444 1.09 . . . . 0.0 109.204 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.566 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 19.2 m-85 -79.71 131.69 36.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -125.24 126.02 25.18 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 176.09 44.9 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.076 -0.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -37.45 86.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.52 156.97 44.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.873 HD21 HG21 ' A' ' 3' ' ' VAL . 13.1 tp -146.9 147.17 30.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.627 ' H ' HD12 ' A' ' 21' ' ' LEU . 8.3 t -131.2 144.03 51.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.07 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.594 HD13 HG23 ' A' ' 29' ' ' VAL . 23.8 pt -153.79 -174.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.411 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 14.7 m -121.03 162.62 19.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.02 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.41 105.94 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.362 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.98 -8.31 8.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.402 ' HB2' HD12 ' A' ' 23' ' ' ILE . 5.0 m-20 -81.47 172.11 13.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 m -121.02 156.54 31.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.469 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.787 HG11 HD13 ' A' ' 94' ' ' ILE . 77.4 t -136.79 110.99 9.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 5' ' ' ILE . 21.6 tt0 -85.5 167.42 15.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.495 ' CE1' HG12 ' A' ' 29' ' ' VAL . 43.4 m-85 -143.39 118.01 9.8 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.86 HG23 ' HA ' ' A' ' 66' ' ' SER . 5.2 p -122.79 148.3 26.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.416 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 5.5 mtp -98.53 118.73 35.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.46 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.5 m120 -78.61 -65.77 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.28 -168.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.525 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 4.4 t 64.17 22.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.474 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -80.68 -171.39 44.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.552 1.157 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.06 166.34 83.52 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.968 0.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.525 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 58.8 m-70 -130.26 -147.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.56 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 172.52 -175.05 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 t -130.46 96.46 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.56 HG22 ' CE1' ' A' ' 81' ' ' TYR . 1.4 mm -121.07 90.49 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -54.14 161.06 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -97.51 -51.96 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 109.375 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.7 mttt 171.88 155.93 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.075 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.959 HG21 ' CD2' ' A' ' 78' ' ' TYR . 0.5 OUTLIER -134.44 163.67 49.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.853 ' HD2' HG22 ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.93 160.01 40.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -41.04 118.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.747 ' HA3' HG21 ' A' ' 74' ' ' THR . . . 153.5 -76.83 0.22 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.538 ' OE1' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -88.14 -172.65 3.9 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 0.782 . . . . 0.0 110.313 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.8 p -127.13 75.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.873 ' HB2' ' HB ' ' A' ' 46' ' ' VAL . . . -49.65 -51.49 59.12 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.762 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.01 50.74 2.61 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.582 1.833 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.46 -45.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.226 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.538 HD12 ' OE1' ' A' ' 50' ' ' GLU . 18.0 mt -66.61 -28.5 68.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.7 m -43.15 146.96 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -138.75 110.34 7.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.3 t -90.23 35.06 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.09 64.3 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -48.66 116.7 1.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.235 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.42 115.2 23.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.468 ' CB ' ' HB3' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -76.95 -41.11 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -44.72 109.01 0.81 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 130.07 12.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.23 38.96 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.86 ' HA ' HG23 ' A' ' 32' ' ' VAL . 34.1 t 61.31 94.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 0.801 . . . . 0.0 109.982 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.416 ' CD2' ' HG3' ' A' ' 33' ' ' MET . 0.4 OUTLIER -37.54 -79.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.1 p90 179.71 177.9 0.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 111.036 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.9 ' O ' HG13 ' A' ' 70' ' ' VAL . 12.6 t -126.87 179.81 5.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.9 HG13 ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -171.93 139.13 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.27 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 79.6 m -95.76 152.01 18.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.0 mt -120.1 170.98 8.8 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -158.65 37.95 0.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.153 . . . . 0.0 111.001 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.747 HG21 ' HA3' ' A' ' 49' ' ' GLY . 16.1 m -149.14 135.9 10.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.749 . . . . 0.0 110.383 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -74.99 147.21 33.64 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.393 1.733 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.66 -178.95 19.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.418 ' CG2' HG22 ' A' ' 93' ' ' THR . 39.2 m -113.43 116.25 29.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 110.439 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.959 ' CD2' HG21 ' A' ' 46' ' ' VAL . 63.7 m-85 -90.06 127.67 36.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.23 139.7 49.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.614 ' N ' ' CD1' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -143.04 173.23 11.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CD1' ' HD2' ' A' ' 86' ' ' ARG . 6.1 p90 -159.71 166.33 30.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.77 149.28 27.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.262 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.473 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -78.91 -53.08 1.18 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.48 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.0 Cg_endo -75.11 -39.72 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.461 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 48.9 m80 -93.57 35.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.624 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -72.24 -11.22 60.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -112.18 -28.19 3.67 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.461 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . . . -62.96 -27.8 69.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.94 58.66 0.87 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.544 1.152 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 14' ' ' PRO . 4.7 mtp -115.55 86.14 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.482 HG12 ' HB3' ' A' ' 81' ' ' TYR . 30.4 m -120.67 161.81 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.568 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -149.51 153.47 25.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.418 HG22 ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -126.99 154.18 44.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.358 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.787 HD13 HG11 ' A' ' 29' ' ' VAL . 78.8 mt -149.09 126.17 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 23' ' ' ILE . 90.2 m -105.93 144.66 32.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.351 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.735 ' O ' HG12 ' A' ' 96' ' ' VAL . 6.0 t -127.32 72.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.245 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 p -49.75 168.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.059 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.961 HG21 HD11 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -115.27 174.1 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -146.29 145.31 30.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.507 ' HA ' HD13 ' A' ' 5' ' ' ILE . 3.3 mm -105.5 110.31 30.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.348 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.656 ' HG2' HG13 ' A' ' 32' ' ' VAL . 2.1 mtmt -85.75 141.17 29.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.411 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 1.8 mpp? -115.99 104.87 12.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 111.03 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 104.48 135.33 8.4 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.796 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 5.0 p -92.11 159.21 15.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 0.803 . . . . 0.0 110.458 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -62.84 -12.93 27.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -90.98 31.17 1.11 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 47.6 34.57 3.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.092 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.796 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -110.18 124.95 32.06 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 105.8 2.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.422 1.748 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.27 170.11 21.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 7' ' ' MET . 9.2 m-85 -100.72 125.6 47.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -122.56 125.72 26.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.232 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 174.35 53.12 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.983 -0.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -63.86 -37.49 87.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.15 151.38 51.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.961 HD11 HG21 ' A' ' 3' ' ' VAL . 13.1 tp -139.45 139.43 37.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.424 1.077 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.529 ' H ' HD12 ' A' ' 21' ' ' LEU . 14.1 t -128.79 141.84 51.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.662 HD12 ' HB2' ' A' ' 27' ' ' ASP . 13.3 pt -152.22 -175.71 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.8 m -120.27 159.81 24.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.55 105.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.44 -8.02 8.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.662 ' HB2' HD12 ' A' ' 23' ' ' ILE . 6.3 m-20 -82.24 173.08 12.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 0.791 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.6 m -122.61 153.91 38.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 110.352 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.549 HG23 HD13 ' A' ' 23' ' ' ILE . 89.8 t -134.3 105.52 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -80.21 170.08 16.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -144.74 114.12 7.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.656 HG13 ' HG2' ' A' ' 6' ' ' LYS . 9.4 p -118.02 146.2 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.082 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.1 ttp -97.31 119.51 35.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.5 m120 -78.57 -66.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.457 ' HG2' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -175.92 -168.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.518 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 3.8 t 65.42 21.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.511 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -75.18 -176.08 37.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.749 ' HB3' HD13 ' A' ' 62' ' ' ILE . 18.4 Cg_endo -74.88 171.68 66.75 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.066 -2.472 . . . . 0.0 111.03 -0.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.548 ' O ' HD23 ' A' ' 60' ' ' LEU . 75.2 m-70 -136.66 -150.22 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.582 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.466 ' ND2' HD12 ' A' ' 42' ' ' ILE . 9.6 p-10 -178.73 178.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.748 ' O ' HG12 ' A' ' 41' ' ' VAL . 50.2 t -131.14 54.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.712 HD12 ' OG1' ' A' ' 83' ' ' THR . 61.2 mt -82.52 93.87 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.539 ' CE2' HG12 ' A' ' 41' ' ' VAL . 91.3 m-85 -61.98 147.62 46.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.4 t70 -74.58 -55.67 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 52' ' ' ALA . 5.1 mttt 166.6 148.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.937 HG13 ' HB2' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -121.25 173.06 4.21 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.432 ' O ' HG23 ' A' ' 46' ' ' VAL . 18.2 Cg_endo -74.94 159.02 42.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.538 1.81 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -42.03 131.4 3.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.499 ' HA3' HG21 ' A' ' 74' ' ' THR . . . 140.28 -69.32 0.47 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.422 1.076 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.645 ' OE1' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -83.89 -173.53 4.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 0.783 . . . . 0.0 110.304 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.513 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -127.43 76.54 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.033 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.937 ' HB2' HG13 ' A' ' 46' ' ' VAL . . . -48.41 -49.94 60.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.07 51.03 2.7 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.398 1.736 . . . . 0.0 110.94 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.513 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -157.22 -45.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.645 HD12 ' OE1' ' A' ' 50' ' ' GLU . 16.0 mt -71.2 -34.81 71.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.52 1.138 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.63 136.96 38.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 57' ' ' ASN . 23.6 p-10 -138.21 104.9 5.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.591 ' HA ' HD11 ' A' ' 42' ' ' ILE . 9.0 t -66.18 -18.42 65.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.383 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.6 tttt -53.21 91.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 39' ' ' HIS . 4.9 mt -57.9 108.9 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 109.232 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.82 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -70.76 100.58 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.749 HD13 ' HB3' ' A' ' 38' ' ' PRO . 18.4 mm -74.93 -53.34 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.81 111.45 4.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.22 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 163.66 34.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.22 -62.99 0.45 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.422 1.076 . . . . 0.0 111.032 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.05 101.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 0.747 . . . . 0.0 109.948 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.82 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 1.8 m-85 -38.23 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.1 p90 173.23 173.38 0.13 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.499 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -116.94 157.04 26.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 110.001 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 69' ' ' SER . 2.6 m -153.89 138.45 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.437 ' C ' HD22 ' A' ' 72' ' ' LEU . 1.9 m -94.37 127.3 40.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.422 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -101.65 171.94 7.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.547 ' O ' HG11 ' A' ' 96' ' ' VAL . . . -151.8 -64.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.499 HG21 ' HA3' ' A' ' 49' ' ' GLY . 17.1 m -39.14 129.0 1.27 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 110.375 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.0 Cg_endo -75.08 141.49 26.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.454 1.765 . . . . 0.0 111.001 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.58 -178.27 23.44 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.3 m -110.42 111.77 23.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.439 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.649 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.0 m-85 -83.97 136.63 33.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.84 139.38 53.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.941 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.627 ' N ' ' CD1' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -140.39 169.51 17.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.826 ' HB3' HG12 ' A' ' 91' ' ' VAL . 7.8 p90 -158.76 161.15 36.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -81.09 151.06 28.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 108.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.712 ' OG1' HD12 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -79.79 -54.08 0.94 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.02 -40.66 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.581 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 49.0 m80 -92.04 35.01 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.458 ' HD2' ' CE1' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -68.55 -19.32 64.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -104.68 -26.74 6.31 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.581 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . . . -63.47 -22.89 67.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 0.729 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.17 54.39 1.87 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.4 mtp -109.03 81.47 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.58 0.812 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.826 HG12 ' HB3' ' A' ' 81' ' ' TYR . 27.3 m -130.06 146.78 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.551 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -128.54 -168.29 12.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.108 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.577 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -155.32 146.05 22.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.409 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.715 HG12 HD23 ' A' ' 21' ' ' LEU . 18.1 mt -139.31 123.5 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 23' ' ' ILE . 25.4 m -104.63 142.64 34.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.419 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.736 ' O ' HG12 ' A' ' 96' ' ' VAL . 3.3 t -127.72 76.5 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.363 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m 66.73 90.65 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.056 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.863 HG21 HD11 ' A' ' 21' ' ' LEU . 12.4 m -116.42 177.28 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -146.53 159.39 43.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.473 ' HA ' HD13 ' A' ' 5' ' ' ILE . 8.7 mm -122.49 117.49 52.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.546 ' HG2' HG13 ' A' ' 32' ' ' VAL . 5.1 mttt -97.72 135.65 39.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.571 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 10.6 mtm -108.96 99.79 9.07 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.56 1.162 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.51 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 109.72 140.54 8.81 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.776 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 2.1 p -101.73 160.72 14.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.359 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.62 -18.09 10.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' ALA . 5.4 mtmt -89.86 39.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 37.99 29.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.776 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -99.72 119.28 60.26 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.473 ' HG3' HG21 ' A' ' 36' ' ' VAL . 18.3 Cg_endo -75.0 95.97 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.617 1.851 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.713 HD11 ' CG2' ' A' ' 9' ' ' THR . 3.0 pp -153.72 150.31 28.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.571 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 7.4 m-85 -79.99 128.72 33.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.545 ' OE1' HG22 ' A' ' 9' ' ' THR . 22.4 tt0 -127.28 128.75 24.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.98 161.42 94.88 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.044 -0.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -53.06 -39.32 63.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.81 153.46 48.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.863 HD11 HG21 ' A' ' 3' ' ' VAL . 9.0 tp -144.17 142.98 30.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.862 ' HA ' HG22 ' A' ' 95' ' ' THR . 20.4 t -130.41 140.71 50.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.573 HG13 HG22 ' A' ' 96' ' ' VAL . 14.1 pt -148.07 -174.53 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.997 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 7.3 m -123.87 169.86 11.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.58 105.39 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.351 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.0 -7.63 9.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.436 1.085 . . . . 0.0 111.069 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.42 ' HB2' HD12 ' A' ' 23' ' ' ILE . 5.1 m-20 -83.07 171.65 13.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 0.786 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.495 HG23 ' C ' ' A' ' 70' ' ' VAL . 27.0 m -127.0 157.55 39.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.72 HG11 HD13 ' A' ' 94' ' ' ILE . 45.3 t -135.13 113.52 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.8 OUTLIER -83.89 167.03 17.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -141.92 128.6 20.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.752 HG23 ' HA ' ' A' ' 66' ' ' SER . 4.3 p -136.8 148.92 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.37 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -98.96 123.93 43.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.4 m120 -81.09 -63.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.523 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -175.1 -163.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.358 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.606 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 11.3 p 47.08 52.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.462 ' HA2' ' NE2' ' A' ' 39' ' ' HIS . . . -108.91 -160.89 19.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.522 1.138 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.483 ' CB ' HD13 ' A' ' 62' ' ' ILE . 18.4 Cg_endo -74.94 179.27 31.17 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.064 -2.473 . . . . 0.0 111.065 -0.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.606 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 19.2 m-70 -136.33 -154.04 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.626 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 1.1 p30 167.59 163.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.152 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 56' ' ' SER . 99.1 t -103.8 99.88 9.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.759 HD11 ' HA ' ' A' ' 58' ' ' THR . 8.7 mm -116.03 68.59 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 50.1 m-85 -36.87 155.83 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -94.85 -50.55 5.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 mttt 169.97 144.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 1.061 HG22 ' HB2' ' A' ' 52' ' ' ALA . 12.2 m -129.16 157.76 75.01 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 175.43 11.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 111.062 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.475 ' CB ' HG21 ' A' ' 74' ' ' THR . . . 64.07 -178.08 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.88 42.47 3.11 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 111.046 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.15 -171.52 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 0.745 . . . . 0.0 110.221 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.528 ' CB ' ' HB3' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -119.28 72.93 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.953 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 1.061 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -76.13 -52.3 2.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.793 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -75.03 0.41 8.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.044 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.528 ' HB3' ' CB ' ' A' ' 51' ' ' SER . . . -107.22 -42.06 4.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.49 ' HB3' ' CE2' ' A' ' 43' ' ' PHE . 6.2 mt -59.68 -36.16 75.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 0.3 OUTLIER -49.03 103.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.031 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.85 91.07 7.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.759 ' HA ' HD11 ' A' ' 42' ' ' ILE . 41.2 p -53.53 -19.57 3.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.175 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -55.55 88.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 58' ' ' THR . 0.2 OUTLIER -68.08 142.82 55.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.426 ' HB2' ' CE1' ' A' ' 67' ' ' PHE . . . -99.67 113.26 25.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.559 HD11 HD12 ' A' ' 60' ' ' LEU . 5.2 mm -83.07 -49.63 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.364 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.67 142.97 28.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 133.25 16.31 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 66' ' ' SER . . . 176.1 37.75 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.752 ' HA ' HG23 ' A' ' 32' ' ' VAL . 0.3 OUTLIER 53.44 103.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.595 0.821 . . . . 0.0 110.008 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -37.57 -77.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -178.62 175.98 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 111.049 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.76 153.05 29.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.495 ' C ' HG23 ' A' ' 28' ' ' THR . 2.6 m -147.59 143.16 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.399 1.062 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.2 m -107.83 146.28 32.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.4 mt -120.96 172.9 7.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . -151.04 -64.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.475 HG21 ' CB ' ' A' ' 48' ' ' ALA . 23.4 m -51.18 135.51 30.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.439 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 74' ' ' THR . 18.5 Cg_endo -74.96 145.84 32.1 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.458 1.767 . . . . 0.0 110.971 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 95' ' ' THR . . . 147.99 179.85 24.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.1 m -113.61 115.33 27.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.76 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.958 ' CD2' HG11 ' A' ' 46' ' ' VAL . 7.4 m-85 -89.13 135.87 33.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.17 136.32 54.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.637 ' N ' ' CD1' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -135.91 172.51 12.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.946 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.647 ' HB3' HG12 ' A' ' 91' ' ' VAL . 7.2 p90 -156.79 160.32 39.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.37 141.29 32.94 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.544 1.153 . . . . 0.0 108.328 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.577 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.6 OUTLIER -79.28 -47.12 1.61 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.04 -46.65 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.838 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 62.5 m80 -87.66 13.37 10.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.643 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 2.4 ttt180 -45.56 -25.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.59 1.181 . . . . 0.0 110.26 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.64 -27.47 9.05 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.838 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . . . -62.96 -23.81 67.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.2 53.59 2.15 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.484 1.115 . . . . 0.0 111.102 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 14' ' ' PRO . 12.3 mtp -110.66 104.68 13.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.647 HG12 ' HB3' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -140.8 155.7 22.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.38 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.57 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -142.35 170.28 25.11 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.41 ' C ' HG13 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -134.1 150.72 51.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 110.406 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.72 HD13 HG11 ' A' ' 29' ' ' VAL . 80.5 mt -149.68 111.37 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.862 HG22 ' HA ' ' A' ' 22' ' ' SER . 15.2 t -100.07 155.61 17.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.575 1.172 . . . . 0.0 110.478 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.76 ' O ' HG12 ' A' ' 96' ' ' VAL . 5.4 t -129.95 72.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.997 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -100.01 120.85 40.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.952 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.776 HG21 HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -110.35 177.56 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.244 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -140.17 161.12 38.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.615 HD11 HD22 ' A' ' 21' ' ' LEU . 7.2 mm -123.09 119.19 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.566 1.166 . . . . 0.0 109.226 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.494 ' HG2' HG13 ' A' ' 32' ' ' VAL . 2.5 mtmt -95.27 129.01 42.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.515 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 3.3 mpp? -104.68 99.79 9.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 109.56 139.53 8.5 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.443 1.089 . . . . 0.0 110.949 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.856 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 8.6 p -99.89 159.75 14.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.435 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.13 -18.34 9.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.223 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -89.52 39.24 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 38.79 29.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.856 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -98.73 119.85 60.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.455 ' HG3' HG21 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -74.91 98.08 1.12 Allowed 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.437 1.757 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.755 HD11 ' CG2' ' A' ' 9' ' ' THR . 2.2 pp -157.13 150.87 24.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.515 ' CE1' ' HG3' ' A' ' 7' ' ' MET . 11.1 m-85 -80.3 129.32 34.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 22.7 tt0 -128.27 125.32 23.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.416 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.02 -178.09 22.45 Favored 'Cis proline' 0 C--N 1.361 1.217 0 C-N-CA 121.016 -2.493 . . . . 0.0 110.999 -0.025 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -36.7 70.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.47 160.81 40.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.802 ' CD2' HG23 ' A' ' 94' ' ' ILE . 1.9 pt? -156.45 152.64 27.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.9 t -121.77 148.09 45.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.994 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.691 HD12 ' HB2' ' A' ' 27' ' ' ASP . 5.2 pt -146.04 172.17 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.409 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -108.65 148.92 29.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 110.062 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.02 105.88 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.45 -8.69 9.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.621 1.2 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.691 ' HB2' HD12 ' A' ' 23' ' ' ILE . 13.1 m-20 -77.42 177.86 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.8 m -130.38 156.78 44.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.648 HG12 ' CE1' ' A' ' 31' ' ' PHE . 89.6 t -128.29 109.54 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.279 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -87.32 167.24 14.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.648 ' CE1' HG12 ' A' ' 29' ' ' VAL . 42.5 m-85 -147.05 121.48 9.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.494 HG13 ' HG2' ' A' ' 6' ' ' LYS . 9.3 p -122.43 152.01 26.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.433 ' CE ' ' HA ' ' A' ' 35' ' ' LYS . 1.7 ttp -100.01 123.93 44.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.4 m120 -83.72 -64.44 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.555 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -171.53 -165.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.614 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 13.0 p 47.63 49.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.468 ' HA2' ' NE2' ' A' ' 39' ' ' HIS . . . -107.31 -164.77 21.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.462 1.101 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HA ' ' HA3' ' A' ' 37' ' ' GLY . 18.3 Cg_endo -74.99 -176.34 17.87 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.953 -2.52 . . . . 0.0 111.055 -0.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.614 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 26.4 m-70 -139.6 -150.32 0.32 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.537 1.148 . . . . 0.0 109.597 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.6 OUTLIER 167.36 160.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 56' ' ' SER . 16.9 t -99.9 99.72 9.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.558 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 2.5 mm -111.75 68.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' ILE . 17.9 m-85 -36.53 155.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -99.7 -58.59 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 176.18 148.8 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.965 HG12 ' HB2' ' A' ' 52' ' ' ALA . 11.9 p -141.19 140.96 21.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.704 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 18.2 Cg_endo -75.04 171.39 18.41 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 47' ' ' PRO . . . 84.14 42.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . 30.55 51.73 0.21 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.52 -171.49 2.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.822 ' HB2' ' HB3' ' A' ' 54' ' ' ALA . 19.7 p -116.19 71.29 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.007 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.965 ' HB2' HG12 ' A' ' 46' ' ' VAL . . . -76.46 -49.95 2.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.708 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.07 0.8 8.49 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.545 1.813 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.822 ' HB3' ' HB2' ' A' ' 51' ' ' SER . . . -107.46 -22.16 12.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.32 -33.24 37.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 0.3 OUTLIER -49.19 121.41 4.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.05 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.52 118.14 32.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.6 t -88.58 40.52 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -100.84 70.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.524 ' O ' HD12 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -41.97 104.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.831 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -85.62 99.0 10.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 62' ' ' ILE . 2.8 mp -74.21 -53.83 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.5 113.18 3.04 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.38 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.08 13.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.519 1.799 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 66' ' ' SER . . . 172.29 -55.11 0.17 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.554 1.159 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.459 ' HA ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER 163.65 101.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.983 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.831 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 6.0 m-85 -37.79 -86.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -168.07 174.7 7.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.82 157.13 24.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.2 137.31 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.375 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.8 m -102.81 151.09 22.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.432 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.789 HD22 ' CE2' ' A' ' 78' ' ' TYR . 12.1 mt -123.04 173.53 7.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -147.74 -44.92 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.564 ' CG2' ' HB1' ' A' ' 48' ' ' ALA . 4.8 m -74.28 138.53 75.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 110.376 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 74' ' ' THR . 18.1 Cg_endo -75.08 153.62 41.52 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.458 1.767 . . . . 0.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.15 -178.68 19.33 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 94' ' ' ILE . 54.1 m -108.51 123.13 48.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.57 0.806 . . . . 0.0 110.415 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.789 ' CE2' HD22 ' A' ' 72' ' ' LEU . 6.8 m-85 -101.58 130.54 47.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.591 1.182 . . . . 0.0 111.056 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.0 t -119.43 162.85 18.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 109.971 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.584 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 2.2 p90 -157.39 179.43 9.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.723 ' HB3' HG12 ' A' ' 91' ' ' VAL . 12.7 p90 -160.39 166.99 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.37 143.78 26.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 108.282 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.553 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -79.72 -48.57 1.4 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.407 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.4 Cg_endo -74.97 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.45 1.763 . . . . 0.0 111.032 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.844 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 65.7 m80 -86.4 11.14 13.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.657 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.568 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 4.2 ttt180 -44.82 -25.88 0.34 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.095 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -99.01 -27.15 8.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.416 1.072 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.844 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . . . -62.7 -24.35 67.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.01 54.3 1.77 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.537 1.148 . . . . 0.0 111.054 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.425 ' CG ' ' O ' ' A' ' 14' ' ' PRO . 10.4 mtp -112.01 98.2 7.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.723 HG12 ' HB3' ' A' ' 81' ' ' TYR . 4.1 m -140.31 151.42 21.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.584 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -136.0 -171.38 12.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.509 ' O ' HD23 ' A' ' 21' ' ' LEU . 3.6 m -154.72 165.28 37.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.757 . . . . 0.0 110.304 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.802 HG23 ' CD2' ' A' ' 21' ' ' LEU . 1.1 mt -151.08 165.45 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' ILE . 23.3 m -143.43 138.83 29.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.623 ' O ' HG12 ' A' ' 96' ' ' VAL . 9.6 t -125.37 81.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.409 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.0 m -67.24 147.74 52.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 109.949 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.833 HG21 HD11 ' A' ' 21' ' ' LEU . 23.2 m -116.19 176.63 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -141.73 153.46 44.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.776 HD13 ' HD2' ' A' ' 18' ' ' PRO . 10.7 mm -124.89 113.04 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.682 ' HG2' HG13 ' A' ' 32' ' ' VAL . 6.9 mttp -89.17 133.48 34.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 mtm -100.79 106.12 17.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.52 156.84 20.04 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.561 1.163 . . . . 0.0 111.078 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.678 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -120.02 158.83 25.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.779 . . . . 0.0 110.399 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -62.25 -14.16 35.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -90.35 40.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.231 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER 37.34 40.57 0.21 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.678 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -114.15 112.59 46.84 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.608 ' HG3' HG11 ' A' ' 36' ' ' VAL . 18.2 Cg_endo -75.02 77.75 3.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 pp -137.59 158.12 45.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.417 ' N ' ' HG3' ' A' ' 90' ' ' MET . 5.6 m-85 -77.59 142.21 39.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 32.2 tt0 -148.45 125.81 5.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.776 ' HD2' HD13 ' A' ' 5' ' ' ILE . 18.4 Cg_endo -75.03 166.97 81.85 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.076 -2.468 . . . . 0.0 111.008 0.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -39.06 79.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.52 146.95 45.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.874 HD23 HG12 ' A' ' 94' ' ' ILE . 13.3 tp -145.78 144.55 30.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.51 ' H ' HD12 ' A' ' 21' ' ' LEU . 7.3 t -130.56 145.41 51.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.026 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.591 HG13 HG22 ' A' ' 96' ' ' VAL . 13.4 pt -154.43 -175.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.611 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 7.4 m -122.83 170.44 10.09 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.488 1.118 . . . . 0.0 109.926 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.42 105.57 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.31 -7.92 8.5 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.562 ' HB2' HD12 ' A' ' 23' ' ' ILE . 5.3 m-20 -80.8 173.54 12.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 m -126.6 154.3 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.373 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.96 HG11 HD13 ' A' ' 94' ' ' ILE . 73.1 t -130.21 100.72 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.6 OUTLIER -80.51 164.05 23.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.54 ' CE1' HG12 ' A' ' 29' ' ' VAL . 74.9 m-85 -143.58 123.42 13.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.682 HG13 ' HG2' ' A' ' 6' ' ' LYS . 7.5 p -130.09 148.62 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.473 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 6.8 mtp -92.02 118.84 31.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.466 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.5 m120 -78.74 -65.8 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.44 -170.37 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.608 HG11 ' HG3' ' A' ' 14' ' ' PRO . 1.8 t 48.69 58.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.473 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -114.16 -164.71 15.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.079 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.417 ' HA ' ' HA3' ' A' ' 37' ' ' GLY . 18.3 Cg_endo -74.97 -178.57 23.83 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.035 0.023 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.572 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 8.8 m-70 -134.86 -165.44 1.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.628 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 3.0 p30 -172.49 166.54 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.734 ' O ' HD13 ' A' ' 42' ' ' ILE . 99.7 t -109.09 113.82 45.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.734 HD13 ' O ' ' A' ' 41' ' ' VAL . 7.1 mm -136.85 74.08 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.413 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 78.5 m-85 -48.42 162.93 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -92.33 -65.71 0.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.671 ' HA ' ' HB1' ' A' ' 52' ' ' ALA . 3.0 mtmt -171.05 155.06 4.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.84 HG11 ' CZ ' ' A' ' 78' ' ' TYR . 71.4 t -134.45 143.57 47.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.717 ' HD2' HG13 ' A' ' 46' ' ' VAL . 18.3 Cg_endo -75.01 178.97 6.56 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.445 1.761 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.739 ' HB3' HG21 ' A' ' 74' ' ' THR . . . 71.64 -175.25 0.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.138 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.47 42.51 3.16 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.97 -172.55 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 110.291 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 m -124.0 75.21 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.972 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.846 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . . . -63.11 -54.12 48.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.846 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.97 50.75 2.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.464 1.771 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.55 -45.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.04 -26.11 65.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.19 126.23 29.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.975 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' VAL . 28.6 t-20 -118.81 111.7 18.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.391 1.057 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.692 ' HA ' HD11 ' A' ' 42' ' ' ILE . 8.9 t -86.87 44.32 1.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -113.87 76.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.216 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.53 123.95 8.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.703 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -114.3 121.78 44.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 63' ' ' ALA . 9.5 tp -83.43 -46.11 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -39.32 99.74 0.2 Allowed Pre-proline 0 C--N 1.323 -0.563 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.05 135.3 18.81 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.577 1.83 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.57 -57.69 0.22 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.679 ' HA ' HG23 ' A' ' 32' ' ' VAL . 6.2 t 168.45 98.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.703 ' CE1' ' HB3' ' A' ' 61' ' ' ALA . 2.0 m-85 -37.45 -84.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.463 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 16.2 p90 -170.74 174.48 4.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.77 154.92 35.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.949 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.0 m -143.57 136.51 24.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.5 m -98.06 122.73 41.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 110.448 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.601 HD12 ' CE2' ' A' ' 78' ' ' TYR . 0.9 OUTLIER -98.66 172.78 7.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.229 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.582 ' O ' HG11 ' A' ' 96' ' ' VAL . . . -150.46 -66.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.739 HG21 ' HB3' ' A' ' 48' ' ' ALA . 20.3 m -38.66 128.76 1.14 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.489 0.758 . . . . 0.0 110.404 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.1 Cg_endo -75.03 141.37 26.48 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.5 -179.69 21.55 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.1 m -103.52 126.45 50.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 110.453 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.84 ' CZ ' HG11 ' A' ' 46' ' ' VAL . 5.6 m-85 -101.42 140.16 36.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 111.058 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 p -119.13 148.15 43.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.598 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 8.3 p90 -157.54 179.92 8.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.564 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 16.7 p90 -161.65 178.07 9.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.955 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.534 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 10.3 t -125.63 97.02 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 108.241 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.531 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -28.85 -57.92 0.25 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.454 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.584 ' C ' ' CG ' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -74.96 127.68 10.9 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.58 1.832 . . . . 0.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.584 ' CG ' ' C ' ' A' ' 84' ' ' PRO . 0.7 OUTLIER 84.09 -0.39 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.622 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.5 ptt85 -42.48 -41.59 3.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.99 -33.47 59.64 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -63.55 -13.47 41.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.18 79.39 1.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.536 1.148 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' A' ' 14' ' ' PRO . 3.5 ttt -133.04 79.12 1.82 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 0.772 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.11 148.07 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.598 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -148.69 159.5 28.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.646 1.216 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.407 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 1.4 m -134.78 160.01 39.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.745 . . . . 0.0 110.428 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.96 HD13 HG11 ' A' ' 29' ' ' VAL . 94.8 mt -144.87 131.51 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' ILE . 92.5 m -113.62 146.75 39.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.748 ' O ' HG12 ' A' ' 96' ' ' VAL . 2.9 t -127.26 78.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.202 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.611 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 1.3 tm-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m 64.47 78.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 110.0 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.922 HG21 HD11 ' A' ' 21' ' ' LEU . 17.6 m -112.41 175.41 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.624 1.202 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -144.55 159.68 42.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 30' ' ' GLU . 6.0 mm -124.67 118.98 54.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.551 ' HG2' HG13 ' A' ' 32' ' ' VAL . 7.6 mttt -96.45 140.0 31.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.453 ' HE1' ' CD2' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -113.09 97.77 6.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.21 151.43 8.56 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.934 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 1.8 p -118.99 154.98 32.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.444 0.732 . . . . 0.0 110.351 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.62 -17.63 15.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.1 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.96 41.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 38.25 34.82 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.934 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -106.35 110.42 63.87 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.428 ' C ' ' SD ' ' A' ' 90' ' ' MET . 18.2 Cg_endo -75.06 78.21 2.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.438 1.757 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.418 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.3 pp -135.41 161.37 35.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.065 . . . . 0.0 109.328 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.462 ' CD2' ' HG2' ' A' ' 90' ' ' MET . 5.7 m-85 -79.18 143.06 35.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 12.0 tt0 -146.06 126.57 7.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.43 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.0 164.89 87.36 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.961 -2.516 . . . . 0.0 111.013 -0.009 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -39.1 86.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.46 149.73 44.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.922 HD11 HG21 ' A' ' 3' ' ' VAL . 11.2 tp -140.68 140.73 34.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.665 ' H ' HD12 ' A' ' 21' ' ' LEU . 9.5 t -129.7 143.0 50.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.585 HD12 ' HB2' ' A' ' 27' ' ' ASP . 16.1 pt -154.88 -176.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 m -121.42 165.47 15.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.07 104.13 0.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.74 -6.81 7.88 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.585 ' HB2' HD12 ' A' ' 23' ' ' ILE . 8.3 m-20 -83.22 173.04 11.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 m -123.71 153.81 40.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.544 HG13 ' CD2' ' A' ' 21' ' ' LEU . 79.0 t -132.9 103.1 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.214 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -80.81 168.76 18.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 110.285 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -145.22 121.66 11.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.681 HG23 ' HA ' ' A' ' 66' ' ' SER . 4.5 p -127.98 144.46 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.409 ' SD ' ' CE2' ' A' ' 67' ' ' PHE . 7.1 mtp -91.05 105.88 18.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -55.01 -69.73 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.573 1.171 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.594 ' O ' HG12 ' A' ' 36' ' ' VAL . 1.9 pttt -169.49 -163.46 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 35' ' ' LYS . 12.1 p 47.68 41.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.572 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -86.92 -168.9 45.38 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.5 1.125 . . . . 0.0 111.046 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.525 ' CG ' HD13 ' A' ' 60' ' ' LEU . 18.6 Cg_endo -74.98 -179.42 26.58 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.006 -0.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.572 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 63.7 m-70 -133.47 -170.32 2.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 109.614 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.495 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.3 t-20 -145.36 -161.36 1.29 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.698 ' O ' HG12 ' A' ' 41' ' ' VAL . 57.2 t -155.98 55.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.368 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.425 HD11 ' ND2' ' A' ' 40' ' ' ASN . 12.2 mm -91.53 124.93 44.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.485 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 83.0 m-85 -88.68 172.22 9.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -97.86 -59.33 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.81 143.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.997 ' CG1' ' HB2' ' A' ' 52' ' ' ALA . 4.0 m -122.33 158.99 54.28 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 161.18 39.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.88 120.82 1.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.244 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 145.05 -70.59 0.38 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.755 ' HB3' HG21 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -85.73 -176.21 5.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 0.725 . . . . 0.0 110.296 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.4 m -130.54 77.73 1.8 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.038 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.997 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . . . -59.09 -52.69 72.94 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.783 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.6 Cg_endo -74.9 50.89 2.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 111.044 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -160.3 -44.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.486 ' CD1' ' OE2' ' A' ' 50' ' ' GLU . 11.6 mt -68.18 -23.53 64.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.32 112.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -93.93 105.19 17.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.3 t -89.91 45.11 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.365 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -134.27 73.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.525 HD13 ' CG ' ' A' ' 38' ' ' PRO . 2.6 pp -40.66 130.42 2.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.513 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -112.6 115.97 29.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.408 HG23 ' N ' ' A' ' 63' ' ' ALA . 8.8 tp -79.9 -48.76 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.408 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -42.87 102.19 0.27 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 130.84 13.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.566 1.824 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 66' ' ' SER . . . 174.53 -53.54 0.14 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.681 ' HA ' HG23 ' A' ' 32' ' ' VAL . 4.6 p 165.03 99.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 0.731 . . . . 0.0 110.07 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.513 ' CE1' ' HB3' ' A' ' 61' ' ' ALA . 0.8 OUTLIER -37.42 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.7 p90 178.75 174.77 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.41 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -121.63 156.22 33.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 110.022 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 69' ' ' SER . 7.7 m -151.95 136.82 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.4 m -91.37 142.72 27.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.428 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.864 HD13 ' CE2' ' A' ' 78' ' ' TYR . 67.8 mt -117.4 172.89 7.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -154.65 -52.29 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.563 1.164 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.98 124.4 6.68 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 140.61 25.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.46 -177.26 20.53 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.9 t -105.0 124.3 49.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 110.371 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.864 ' CE2' HD13 ' A' ' 72' ' ' LEU . 21.7 m-85 -98.08 141.6 30.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.3 m -119.26 149.2 42.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.003 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.582 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 18.5 p90 -163.22 -178.02 5.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -161.27 -175.98 5.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.542 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 7.3 t -128.03 95.61 4.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.535 ' C ' ' O ' ' A' ' 82' ' ' CYS . 0.8 OUTLIER -26.88 -57.96 0.2 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.42 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.579 ' O ' ' CG ' ' A' ' 85' ' ' HIS . 18.6 Cg_endo -75.0 126.03 9.71 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 84' ' ' PRO . 2.0 m80 87.78 -4.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.629 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.5 ptt85 -39.85 -40.77 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.339 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.67 -39.28 56.11 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.541 1.15 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -59.81 -17.25 34.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 0.802 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.06 84.53 1.66 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.462 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 5.0 ttt -137.13 82.77 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 0.768 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 30.7 m -120.84 147.28 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.582 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -147.69 155.79 26.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 78' ' ' TYR . 1.3 m -134.18 159.42 40.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 0.796 . . . . 0.0 110.374 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.794 HG12 HD23 ' A' ' 21' ' ' LEU . 58.6 mt -141.67 130.97 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' ILE . 87.2 m -113.22 145.31 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.372 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.746 ' O ' HG12 ' A' ' 96' ' ' VAL . 3.6 t -127.11 76.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t 62.35 116.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.42 1.075 . . . . 0.0 109.984 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.853 HG21 HD21 ' A' ' 21' ' ' LEU . 22.5 m -111.51 172.4 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.589 1.181 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.46 154.24 39.58 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' ' 5' ' ' ILE . 4.5 mm -120.06 117.9 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.616 ' HG2' HG13 ' A' ' 32' ' ' VAL . 7.1 mttt -91.88 154.49 18.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.574 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 3.4 mpp? -129.04 109.21 11.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.27 133.56 8.0 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.536 HG23 ' HG ' ' A' ' 15' ' ' LEU . 4.4 p -96.34 154.99 16.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.34 -7.56 32.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -90.24 25.23 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 53.45 48.79 21.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.5 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -136.06 123.53 14.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.415 ' O ' ' HG2' ' A' ' 90' ' ' MET . 18.4 Cg_endo -74.98 111.17 3.27 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.467 1.772 . . . . 0.0 110.977 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.536 ' HG ' HG23 ' A' ' 9' ' ' THR . 0.8 OUTLIER -170.22 151.4 3.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.574 ' CD1' ' HG3' ' A' ' 7' ' ' MET . 46.0 m-85 -80.9 138.4 36.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 17.3 tt0 -131.67 126.65 21.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.462 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.99 -176.78 18.78 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.003 -0.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -92.36 26.32 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 19' ' ' LYS . . . 175.63 137.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.853 HD21 HG21 ' A' ' 3' ' ' VAL . 14.0 tp -142.22 150.01 40.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.52 ' O ' HG23 ' A' ' 23' ' ' ILE . 8.1 t -133.08 146.68 51.89 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.512 1.133 . . . . 0.0 109.99 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.662 HD13 ' CG2' ' A' ' 29' ' ' VAL . 30.5 pt -156.14 -174.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.6 m -118.05 169.56 9.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.079 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -69.27 104.34 2.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.22 -6.62 8.71 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.453 ' HB2' HD12 ' A' ' 23' ' ' ILE . 9.5 m-20 -80.15 173.78 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 0.733 . . . . 0.0 109.311 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.0 m -121.89 154.94 36.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.411 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.741 HG11 HD13 ' A' ' 94' ' ' ILE . 85.6 t -135.9 107.7 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.39 168.05 15.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.412 ' CE2' HG21 ' A' ' 5' ' ' ILE . 46.3 m-85 -145.58 129.12 17.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.786 HG23 ' HA ' ' A' ' 66' ' ' SER . 9.9 p -131.55 136.71 56.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.4 ' SD ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -91.19 100.97 13.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.483 ' OD1' ' CE ' ' A' ' 6' ' ' LYS . 2.0 m-20 -56.69 -73.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 1.009 ' HD3' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -169.99 -170.39 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 1.009 HG23 ' HD3' ' A' ' 35' ' ' LYS . 21.9 t 68.29 15.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.577 ' HA2' ' CE1' ' A' ' 39' ' ' HIS . . . -69.36 -165.9 4.64 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.586 ' CB ' HD13 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.97 161.41 94.89 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 121.023 -2.49 . . . . 0.0 111.015 0.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.577 ' CE1' ' HA2' ' A' ' 37' ' ' GLY . 66.5 m-70 -131.9 -164.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.067 . . . . 0.0 109.616 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.578 ' HA ' ' CE2' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -178.48 -174.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 56' ' ' SER . 61.5 t -127.71 82.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.7 mm -103.78 74.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -38.04 157.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.062 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 2.4 t0 -90.26 -48.12 7.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 7.8 mtmt 168.23 150.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.91 HG22 ' HB2' ' A' ' 52' ' ' ALA . 33.6 m -130.24 158.55 73.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' ALA . 18.1 Cg_endo -75.03 161.33 38.85 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.448 1.762 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' PRO . . . -39.11 132.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.46 ' HA3' ' CG2' ' A' ' 74' ' ' THR . . . 139.16 -61.17 0.57 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -104.29 -172.26 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 0.733 . . . . 0.0 110.28 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.476 ' OG ' ' HB3' ' A' ' 54' ' ' ALA . 76.7 p -129.1 77.08 1.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.964 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.91 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -51.13 -51.04 71.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.733 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.98 51.14 2.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.476 ' HB3' ' OG ' ' A' ' 51' ' ' SER . . . -159.31 -45.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.9 mt -69.59 -29.06 66.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 2.1 m -47.63 104.87 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.122 . . . . 0.0 109.996 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -91.96 105.99 18.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.1 t -86.78 42.23 1.0 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -113.01 63.0 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.682 ' O ' HD12 ' A' ' 60' ' ' LEU . 2.1 pp -39.52 116.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.667 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -96.76 100.18 11.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.434 HD13 ' HG3' ' A' ' 38' ' ' PRO . 7.8 tp -67.26 -45.37 86.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.228 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.58 117.71 59.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 130.88 13.69 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.495 1.787 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.28 39.71 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.786 ' HA ' HG23 ' A' ' 32' ' ' VAL . 1.3 t 65.69 96.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 0.734 . . . . 0.0 109.995 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.667 ' CE1' ' HB3' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -38.0 -76.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.3 p90 179.9 174.83 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.951 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.465 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -123.52 155.3 37.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.946 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 69' ' ' SER . 11.0 m -153.73 136.44 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.4 m -90.24 148.46 22.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.0 mt -129.38 172.45 11.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.44 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . -151.33 -44.48 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.46 ' CG2' ' HA3' ' A' ' 49' ' ' GLY . 1.1 m -51.2 124.76 23.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.558 0.799 . . . . 0.0 110.389 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -75.07 141.14 26.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.97 -179.22 21.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.409 ' O ' ' CG2' ' A' ' 77' ' ' THR . 3.6 t -107.54 117.81 35.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 110.395 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.89 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.7 m-85 -92.63 134.81 34.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.77 145.06 43.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.566 ' CE2' ' HA3' ' A' ' 92' ' ' GLY . 0.5 OUTLIER -147.88 172.48 14.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CD1' ' HD2' ' A' ' 86' ' ' ARG . 5.8 p90 -166.43 171.43 11.93 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.567 1.167 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.15 149.28 23.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.353 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.533 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -80.67 -49.76 1.1 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.374 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.07 -45.38 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.551 1.816 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.832 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 64.5 m80 -84.52 9.45 13.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.63 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -43.48 -26.72 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 85' ' ' HIS . . . -102.59 -25.45 7.69 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.832 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . . . -62.24 -23.87 66.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.767 . . . . 0.0 109.228 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.98 54.35 1.4 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.431 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 3.4 mtp -113.11 82.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 0.799 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.545 HG12 ' HB3' ' A' ' 81' ' ' TYR . 29.0 m -121.92 164.87 18.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.566 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -155.67 172.46 33.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.586 1.179 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.404 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -142.96 155.8 44.76 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 0.768 . . . . 0.0 110.384 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.741 HD13 HG11 ' A' ' 29' ' ' VAL . 72.0 mt -148.73 135.28 12.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 23' ' ' ILE . 46.6 m -113.98 142.89 45.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.737 ' O ' HG12 ' A' ' 96' ' ' VAL . 4.0 t -128.09 74.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.218 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' ILE . 4.3 mt-10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.4 m -90.39 153.36 20.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.048 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.825 HG21 HD11 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -122.17 176.72 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -147.39 161.43 41.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.507 ' HA ' HD13 ' A' ' 5' ' ' ILE . 4.1 mm -125.86 121.06 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.465 ' HG3' ' CG1' ' A' ' 32' ' ' VAL . 1.9 mtmt -93.43 141.76 28.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.406 ' SD ' ' CE1' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -117.4 100.84 7.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 107.76 140.89 9.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.718 ' CG2' HD11 ' A' ' 15' ' ' LEU . 1.6 p -103.25 163.97 11.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.586 0.815 . . . . 0.0 110.383 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -67.57 -8.81 37.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -91.2 32.12 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.43 ' C ' HG11 ' A' ' 36' ' ' VAL . 0.4 OUTLIER 44.44 26.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 111.049 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.91 125.57 31.32 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HB2' ' SD ' ' A' ' 90' ' ' MET . 18.4 Cg_endo -74.95 110.07 3.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.718 HD11 ' CG2' ' A' ' 9' ' ' THR . 1.3 pp -162.64 150.35 13.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.491 ' CE2' ' HE2' ' A' ' 90' ' ' MET . 31.1 m-85 -83.31 127.44 33.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 16.1 tt0 -124.33 126.23 25.54 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.401 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.0 -178.37 23.27 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.014 0.012 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 13.9 ptmt -92.33 24.52 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 19' ' ' LYS . . . 179.2 143.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.825 HD11 HG21 ' A' ' 3' ' ' VAL . 8.3 tp -147.31 144.09 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.759 ' H ' HD12 ' A' ' 21' ' ' LEU . 12.8 t -131.45 141.77 49.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.751 HD12 ' HB2' ' A' ' 27' ' ' ASP . 20.1 pt -151.33 -173.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.2 m -122.06 173.23 7.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.175 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -68.98 104.18 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.61 -6.82 7.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.751 ' HB2' HD12 ' A' ' 23' ' ' ILE . 4.4 m-20 -82.32 173.42 12.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 0.804 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.494 HG23 ' C ' ' A' ' 70' ' ' VAL . 30.5 m -124.68 157.95 34.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.413 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.046 HG11 ' CD1' ' A' ' 94' ' ' ILE . 65.2 t -131.83 111.74 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 5' ' ' ILE . 34.8 tt0 -90.5 163.31 14.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.442 ' CE1' HG12 ' A' ' 29' ' ' VAL . 47.9 m-85 -142.26 123.97 15.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.729 HG23 ' HA ' ' A' ' 66' ' ' SER . 3.8 p -123.89 157.36 30.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 109.395 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.3 ttm -107.82 128.96 55.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.15 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.8 m120 -87.1 -62.98 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.691 ' O ' HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -177.18 -161.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 35' ' ' LYS . 9.3 m 49.57 35.07 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.46 ' HA2' ' NE2' ' A' ' 39' ' ' HIS . . . -93.84 -165.64 37.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.483 ' HG3' HD11 ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.04 -176.68 18.6 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.013 0.026 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.468 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 61.9 m-70 -142.15 -148.93 0.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.566 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 178.97 177.99 0.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.6 t -126.7 71.42 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.623 HD12 ' OG1' ' A' ' 83' ' ' THR . 30.9 mt -94.93 90.76 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -55.71 156.33 5.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.3 t70 -88.81 -48.01 7.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER 166.97 144.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 1.028 HG22 ' HB2' ' A' ' 52' ' ' ALA . 6.1 m -128.15 153.76 78.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.553 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 18.2 Cg_endo -75.0 168.9 23.82 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.525 1.802 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 47' ' ' PRO . . . 74.09 -178.15 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.67 42.18 3.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.415 1.072 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.33 -171.6 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 0.761 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.912 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -122.08 74.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.999 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 1.028 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -75.35 -51.92 3.18 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.78 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -74.97 0.2 9.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.448 1.762 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.912 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -102.38 -52.47 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.7 mt -53.52 -33.61 55.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 m -40.52 160.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.015 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -158.88 99.01 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.597 ' CB ' HD11 ' A' ' 42' ' ' ILE . 15.2 t -87.15 43.0 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.416 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ALA . 4.6 tttt -109.17 91.37 3.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.29 95.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 1.186 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -83.82 96.5 8.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.157 . . . . 0.0 109.338 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.483 HD11 ' HG3' ' A' ' 38' ' ' PRO . 3.1 mm -74.83 -54.79 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -39.83 100.04 0.21 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.06 130.7 13.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 110.965 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.19 48.19 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.729 ' HA ' HG23 ' A' ' 32' ' ' VAL . 11.6 t 63.82 96.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 0.781 . . . . 0.0 110.032 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 1.186 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 1.3 m-85 -37.45 -82.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -169.28 175.04 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -118.95 160.9 21.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.494 ' C ' HG23 ' A' ' 28' ' ' THR . 6.0 m -149.49 140.2 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.9 m -103.33 136.3 43.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.379 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.69 ' CD2' ' CE2' ' A' ' 78' ' ' TYR . 0.7 OUTLIER -115.84 172.39 7.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . -149.97 -56.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.455 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 19.4 m -53.27 136.37 50.2 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.486 0.756 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.04 147.29 33.57 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.467 1.772 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.37 179.6 20.93 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 t -113.25 121.4 44.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.773 . . . . 0.0 110.404 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.955 ' CD2' HG11 ' A' ' 46' ' ' VAL . 7.2 m-85 -96.82 130.55 44.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -117.17 142.73 46.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.014 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.619 ' N ' ' CD1' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -142.6 171.09 14.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.685 ' HB3' HG12 ' A' ' 91' ' ' VAL . 11.2 p90 -157.46 170.01 23.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -91.3 146.82 23.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 108.284 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.623 ' OG1' HD12 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -75.24 -55.27 2.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 110.357 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.98 -35.51 3.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -102.19 69.69 1.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 109.615 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -98.62 -11.72 21.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -110.35 -27.58 4.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.64 -23.36 67.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.787 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.81 55.57 1.51 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.491 ' HE2' ' CE2' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -108.04 74.89 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.73 . . . . 0.0 111.032 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.685 HG12 ' HB3' ' A' ' 81' ' ' TYR . 22.6 m -127.77 146.92 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.604 ' O ' ' CE1' ' A' ' 80' ' ' PHE . . . -139.53 154.84 23.83 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.122 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.94 157.26 30.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.783 . . . . 0.0 110.423 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.046 ' CD1' HG11 ' A' ' 29' ' ' VAL . 74.7 mt -149.46 118.12 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' ILE . 82.6 m -101.5 144.17 30.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.416 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.749 ' O ' HG12 ' A' ' 96' ' ' VAL . 4.5 t -125.12 73.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 23' ' ' ILE . 6.7 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 m 65.36 82.77 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.866 HG21 HD11 ' A' ' 21' ' ' LEU . 1.7 m -112.32 177.22 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.168 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -144.67 160.4 41.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.514 HD13 ' HD2' ' A' ' 18' ' ' PRO . 10.4 mm -125.94 119.35 54.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.495 ' CE ' ' OD1' ' A' ' 34' ' ' ASN . 4.5 mttp -99.55 128.62 45.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.232 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.559 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 46.6 mtm -99.51 102.93 14.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 106.45 146.86 13.99 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.451 1.094 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.477 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 1.1 p -110.15 164.46 12.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.751 . . . . 0.0 110.42 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.425 ' HA ' ' CE ' ' A' ' 35' ' ' LYS . 10.2 t70 -63.5 -12.82 35.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' ALA . 4.3 mttt -90.69 37.98 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 38.53 29.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.564 ' HB1' HD23 ' A' ' 15' ' ' LEU . . . -102.55 116.25 63.09 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.511 ' HB2' ' CG ' ' A' ' 85' ' ' HIS . 18.2 Cg_endo -75.02 86.02 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.548 1.815 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.564 HD23 ' HB1' ' A' ' 13' ' ' ALA . 2.2 pp -144.25 152.78 41.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.559 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 5.3 m-85 -75.7 139.64 42.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 111.065 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 24.1 tt0 -144.07 126.42 8.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.514 ' HD2' HD13 ' A' ' 5' ' ' ILE . 18.3 Cg_endo -75.0 170.67 71.23 Favored 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.036 -2.485 . . . . 0.0 110.982 0.044 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -38.63 61.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.37 144.08 47.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.866 HD11 HG21 ' A' ' 3' ' ' VAL . 12.1 tp -143.8 142.7 31.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.565 1.166 . . . . 0.0 109.26 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.61 ' H ' HD12 ' A' ' 21' ' ' LEU . 7.7 t -132.26 144.26 50.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.951 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.784 HD12 ' HB2' ' A' ' 27' ' ' ASP . 11.1 pt -153.73 -176.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.17 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.5 m -117.8 168.5 10.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.423 1.077 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.77 103.71 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.37 -7.07 8.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.11 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.784 ' HB2' HD12 ' A' ' 23' ' ' ILE . 25.0 m-20 -78.44 175.44 10.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.437 HG23 ' C ' ' A' ' 70' ' ' VAL . 33.0 m -127.73 158.36 37.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.686 HG22 HG23 ' A' ' 3' ' ' VAL . 54.0 t -136.49 111.62 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 5' ' ' ILE . 13.9 tt0 -87.85 166.76 14.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.544 ' CE1' HG12 ' A' ' 29' ' ' VAL . 70.7 m-85 -145.03 130.68 18.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.756 HG23 ' HA ' ' A' ' 66' ' ' SER . 3.6 p -137.17 156.45 33.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.36 103.59 15.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -58.76 -70.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.573 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -173.57 -161.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 35' ' ' LYS . 12.9 p 47.33 44.1 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.411 ' HA2' ' CE1' ' A' ' 39' ' ' HIS . . . -90.18 -162.04 37.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.569 ' HB2' HD13 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.97 171.96 65.44 Favored 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.009 0.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.547 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 86.4 m-70 -137.78 176.27 8.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.565 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 3.5 p30 -161.45 169.12 22.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.588 1.18 . . . . 0.0 109.233 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.8 t -113.58 110.03 30.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.251 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.4 mm -135.35 90.86 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -57.83 164.85 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -98.96 -51.5 3.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 mttp 171.79 147.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.835 HG11 ' CD2' ' A' ' 78' ' ' TYR . 4.1 m -133.87 155.77 79.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.593 1.183 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.62 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -74.98 166.35 29.41 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.795 ' CB ' HG21 ' A' ' 74' ' ' THR . . . 78.57 -178.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.38 42.51 3.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -77.99 -171.91 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.322 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.826 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -121.61 73.91 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.028 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.77 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . . . -74.83 -51.92 3.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -74.96 0.46 8.86 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.567 1.825 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.826 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -108.05 -42.11 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.81 -36.67 79.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.11 124.1 13.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.068 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -124.55 123.66 40.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.2 t -90.87 33.93 0.92 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -93.56 55.58 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.829 HD11 HD11 ' A' ' 62' ' ' ILE . 1.7 pp -45.73 137.86 5.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.422 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -103.36 120.01 39.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.829 HD11 HD11 ' A' ' 60' ' ' LEU . 18.4 mm -78.45 -46.92 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.51 147.47 49.64 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 164.62 32.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.0 -93.07 0.12 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.518 1.137 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.756 ' HA ' HG23 ' A' ' 32' ' ' VAL . 85.5 p 179.2 98.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 109.967 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.422 ' CE1' ' HB3' ' A' ' 61' ' ' ALA . 1.6 m-85 -37.33 -82.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 11.0 p90 177.57 177.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.875 ' O ' HG13 ' A' ' 70' ' ' VAL . 11.4 t -122.36 -179.75 4.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.012 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.875 HG13 ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -170.03 144.65 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.2 m -102.51 145.59 29.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.094 . . . . 0.0 110.419 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.4 mt -116.47 172.0 7.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.14 -48.06 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.57 1.169 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.795 HG21 ' CB ' ' A' ' 48' ' ' ALA . 22.9 m -64.56 129.51 94.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 110.479 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -75.01 148.34 35.13 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.28 -179.8 22.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.7 t -106.27 122.99 47.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.372 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.835 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.3 m-85 -98.41 139.15 34.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p -125.29 144.51 50.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.4 1.062 . . . . 0.0 110.074 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.583 ' CE1' ' C ' ' A' ' 92' ' ' GLY . 6.6 p90 -149.24 -173.12 4.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.062 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -166.59 174.95 8.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.546 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 52.0 t -121.11 99.81 6.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 108.282 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.545 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -27.14 -58.86 0.21 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.102 . . . . 0.0 110.415 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.674 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -75.0 143.69 29.35 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.674 ' CD2' ' O ' ' A' ' 84' ' ' PRO . 26.9 m-70 85.46 -62.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER 37.88 -93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.268 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -45.2 -24.34 0.88 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.572 1.17 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.657 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . . . -60.46 -15.44 26.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.97 55.6 1.84 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.541 1.151 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.446 ' SD ' ' C ' ' A' ' 14' ' ' PRO . 1.3 ttt -117.42 65.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.733 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.5 m -119.01 146.4 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.583 ' C ' ' CE1' ' A' ' 80' ' ' PHE . . . -146.45 164.55 28.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -140.27 161.35 37.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.75 . . . . 0.0 110.383 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.789 HG12 HD23 ' A' ' 21' ' ' LEU . 95.4 mt -142.94 131.92 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' ILE . 41.4 m -115.07 142.53 46.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.659 ' O ' HG12 ' A' ' 96' ' ' VAL . 17.7 t -126.79 74.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.274 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.69 169.0 18.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.982 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.83 HG21 HD11 ' A' ' 21' ' ' LEU . 1.2 m -125.74 177.46 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -148.5 159.37 44.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.507 ' HB ' ' CD1' ' A' ' 31' ' ' PHE . 12.5 mm -125.07 107.89 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -89.3 139.1 30.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.415 ' HG2' ' CE ' ' A' ' 90' ' ' MET . 3.5 mtm -108.86 101.51 10.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.445 ' O ' ' ND2' ' A' ' 34' ' ' ASN . . . 117.86 145.31 7.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.686 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 14.9 p -110.15 158.6 18.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 110.39 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -60.58 -15.16 25.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.51 38.96 0.96 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 40.16 28.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.686 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -104.08 116.21 61.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.437 ' HB2' ' CB ' ' A' ' 85' ' ' HIS . 18.3 Cg_endo -75.06 92.66 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.567 1.825 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.788 HD23 ' N ' ' A' ' 16' ' ' TYR . 6.9 tt -142.08 172.24 12.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.788 ' N ' HD23 ' A' ' 15' ' ' LEU . 5.2 m-85 -96.37 127.86 42.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.074 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.474 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 18.9 tt0 -132.95 130.53 21.53 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.4 1.063 . . . . 0.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.496 ' HD2' HD13 ' A' ' 5' ' ' ILE . 18.1 Cg_endo -75.03 150.94 96.22 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.009 0.055 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.73 -39.94 19.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.26 148.27 48.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.83 HD11 HG21 ' A' ' 3' ' ' VAL . 5.9 tp -139.55 140.39 37.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.813 ' N ' HD12 ' A' ' 21' ' ' LEU . 16.2 t -128.87 141.27 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.618 1.199 . . . . 0.0 109.952 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.632 HG13 HG22 ' A' ' 96' ' ' VAL . 15.0 pt -150.72 -176.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.805 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 8.7 m -121.76 161.94 21.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.041 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.54 105.82 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.7 -7.98 8.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.544 ' HB2' HD12 ' A' ' 23' ' ' ILE . 9.2 m-20 -82.17 173.83 11.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.789 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.0 m -122.66 155.87 35.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.474 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.895 HG11 HD13 ' A' ' 94' ' ' ILE . 85.2 t -129.38 107.08 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 5' ' ' ILE . 1.3 tt0 -84.99 166.01 17.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.507 ' CD1' ' HB ' ' A' ' 5' ' ' ILE . 73.2 m-85 -142.92 123.94 14.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.142 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -122.59 151.28 26.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.521 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 1.9 ttp -103.62 83.95 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.985 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -40.39 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.363 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.608 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -169.43 -162.8 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 35' ' ' LYS . 12.9 p 48.14 46.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.6 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -90.99 -163.3 38.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.551 ' HB3' HD13 ' A' ' 62' ' ' ILE . 18.4 Cg_endo -74.99 174.95 50.02 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.026 -2.489 . . . . 0.0 111.005 -0.071 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.6 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 66.3 m-70 -132.51 -172.01 2.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.623 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.634 ' ND2' HD12 ' A' ' 42' ' ' ILE . 6.6 p-10 -169.95 -175.71 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.0 t -133.89 108.32 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.672 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 59.4 mt -137.98 104.04 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -74.38 166.26 23.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -97.53 -54.34 3.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.607 1.192 . . . . 0.0 109.311 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 mttt 177.85 148.56 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 1.043 HG11 ' CD2' ' A' ' 78' ' ' TYR . 9.6 m -130.8 156.2 80.29 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.487 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -75.05 -178.07 3.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 111.044 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.624 ' HB3' HG21 ' A' ' 74' ' ' THR . . . 70.97 -177.86 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.222 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.2 37.32 3.41 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.17 -172.93 4.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 0.761 . . . . 0.0 110.345 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.507 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 4.1 m -123.49 74.35 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 1.087 . . . . 0.0 110.09 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 1.041 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -63.25 -52.34 62.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.774 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -75.05 50.48 2.55 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.522 1.801 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.507 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -155.6 -45.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.25 -20.91 63.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 p -58.11 144.83 38.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.958 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -135.96 113.13 10.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.7 t -90.12 24.92 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.452 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.6 74.54 10.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.54 114.81 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.774 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -91.24 110.94 22.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.242 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.551 HD13 ' HB3' ' A' ' 38' ' ' PRO . 9.4 mm -75.31 -50.22 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.45 114.5 14.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 141.92 27.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.793 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.39 -73.16 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.0 t -173.49 104.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 109.98 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.774 ' CE1' ' HB3' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -45.32 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.8 p90 177.93 176.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.86 159.55 24.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 m -151.48 136.8 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.9 m -97.4 142.41 29.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.4 mt -129.43 172.48 11.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.48 -51.04 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 0.0 111.022 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.624 HG21 ' HB3' ' A' ' 48' ' ' ALA . 2.5 m -41.69 123.08 2.38 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.507 0.769 . . . . 0.0 110.4 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.97 141.55 26.87 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.63 -179.05 20.05 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.4 m -103.9 127.02 51.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 110.449 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 1.043 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.5 m-85 -102.73 135.58 44.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.4 m -114.32 145.12 42.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.048 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.599 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 8.6 p90 -156.05 179.31 9.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.672 ' CZ ' HG22 ' A' ' 42' ' ' ILE . 7.4 p90 -154.89 -174.77 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.517 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 11.3 t -131.48 101.05 5.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.238 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.569 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -31.55 -59.97 0.33 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.586 ' C ' ' CG ' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -74.99 128.53 11.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.586 ' CG ' ' C ' ' A' ' 84' ' ' PRO . 1.9 m80 87.39 -2.98 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -38.29 -52.71 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -68.22 -34.64 81.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -61.49 -14.77 31.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.398 0.705 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.52 91.18 1.39 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.438 ' SD ' ' CA ' ' A' ' 15' ' ' LEU . 3.6 ttt -148.07 93.41 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.387 0.698 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.7 m -132.88 147.39 31.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.599 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -146.69 154.57 26.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.547 1.154 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -128.2 158.27 38.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.348 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.895 HD13 HG11 ' A' ' 29' ' ' VAL . 74.0 mt -142.99 123.6 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.366 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ILE . 94.1 m -109.07 146.6 33.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.447 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.748 ' O ' HG12 ' A' ' 96' ' ' VAL . 3.8 t -127.41 75.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.805 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p -87.36 167.5 13.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.819 ' CG2' HD21 ' A' ' 21' ' ' LEU . 13.6 m -112.6 176.8 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -148.46 152.03 36.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 110.282 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' GLU . 4.4 mm -115.53 112.76 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.462 ' HG2' ' CG1' ' A' ' 32' ' ' VAL . 26.9 mttt -81.85 141.6 33.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.641 ' HE1' ' CD1' ' A' ' 67' ' ' PHE . 3.1 mpp? -114.95 103.46 10.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 104.59 143.26 12.07 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.58 1.175 . . . . 0.0 111.009 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.943 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 81.4 p -112.82 154.24 26.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.565 0.803 . . . . 0.0 110.396 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -61.08 -15.1 29.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -91.41 39.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 42.06 32.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.943 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -107.73 103.0 47.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.422 ' C ' ' SD ' ' A' ' 90' ' ' MET . 18.2 Cg_endo -75.04 81.18 2.28 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.538 1.81 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.401 ' HA ' ' CG ' ' A' ' 90' ' ' MET . 3.6 pp -141.51 155.29 45.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -72.43 124.63 25.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 21.5 tt0 -119.91 125.38 27.4 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 18.1 Cg_endo -75.02 -174.11 13.54 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.985 -2.506 . . . . 0.0 110.924 0.018 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.48 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -91.58 23.54 3.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 19' ' ' LYS . . . 176.81 137.09 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.819 HD21 ' CG2' ' A' ' 3' ' ' VAL . 11.1 tp -138.34 143.48 39.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.829 ' HA ' HG22 ' A' ' 95' ' ' THR . 23.2 t -128.69 139.05 52.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.059 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.625 HG13 HG22 ' A' ' 96' ' ' VAL . 18.6 pt -145.87 -173.73 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.697 ' C ' HG13 ' A' ' 96' ' ' VAL . 11.2 m -119.83 175.2 6.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.936 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.15 101.94 3.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.23 1.52 9.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.479 ' HB2' HD12 ' A' ' 23' ' ' ILE . 5.6 m-20 -86.41 175.08 8.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.785 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.2 m -124.61 157.02 36.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.92 HG11 HD13 ' A' ' 94' ' ' ILE . 89.7 t -132.7 106.4 10.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 5' ' ' ILE . 3.3 tt0 -87.55 169.27 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CE1' HG12 ' A' ' 29' ' ' VAL . 49.9 m-85 -146.63 127.74 14.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 111.009 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.462 ' CG1' ' HG2' ' A' ' 6' ' ' LYS . 3.5 p -128.14 142.82 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -91.51 116.1 28.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 2.0 m120 -75.47 -68.19 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.691 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -170.57 -167.58 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.691 HG12 ' O ' ' A' ' 35' ' ' LYS . 8.8 p 49.74 41.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.222 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.597 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -89.52 -162.74 38.69 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.147 . . . . 0.0 111.072 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -179.84 28.07 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.026 0.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.597 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 52.0 m-70 -135.75 -173.38 3.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.636 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.481 ' ND2' ' CG1' ' A' ' 42' ' ' ILE . 50.6 p-10 -164.63 -172.21 2.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.3 t -136.08 90.48 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.659 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 10.8 mm -119.63 112.35 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -76.98 159.73 29.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.7 t0 -91.61 -49.3 6.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.534 1.146 . . . . 0.0 109.393 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 2.2 mtmt 168.58 144.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 1.033 ' CG1' ' HB2' ' A' ' 52' ' ' ALA . 10.2 m -123.09 157.91 59.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' ALA . 18.5 Cg_endo -74.98 163.78 34.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' PRO . . . -39.97 130.47 2.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 136.03 -66.15 0.56 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.501 ' HB3' HG21 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -97.18 -175.33 3.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 0.745 . . . . 0.0 110.263 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.66 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -132.42 78.68 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 1.033 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . . . -54.44 -52.44 69.4 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.791 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.95 50.99 2.65 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.66 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -156.83 -45.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.51 -33.07 70.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -43.0 122.3 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -124.33 127.6 47.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.5 t -91.14 33.21 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 110.392 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -88.21 69.54 9.18 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.411 ' HA ' ' O ' ' A' ' 39' ' ' HIS . 0.4 OUTLIER -54.56 127.55 28.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -96.86 107.26 19.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.513 HD12 ' N ' ' A' ' 62' ' ' ILE . 1.7 mp -75.12 -51.81 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.82 144.15 98.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 131.57 14.53 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.03 -135.91 3.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -131.36 106.32 8.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 0.807 . . . . 0.0 109.984 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.641 ' CD1' ' HE1' ' A' ' 7' ' ' MET . 28.3 m-85 -37.4 -73.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 111.046 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.6 p90 175.22 174.61 0.23 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.541 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -117.19 164.01 15.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.008 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 69' ' ' SER . 0.9 OUTLIER -155.78 138.49 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 27' ' ' ASP . 90.5 m -99.27 152.32 20.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.392 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.726 HD22 ' CE2' ' A' ' 78' ' ' TYR . 1.6 mt -123.98 169.15 11.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.396 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -156.06 42.31 0.56 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.43 1.081 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -145.97 128.59 8.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.566 0.803 . . . . 0.0 110.385 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.5 Cg_endo -75.02 141.67 26.87 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.17 -179.89 18.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.4 t -106.34 122.98 47.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 110.378 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.726 ' CE2' HD22 ' A' ' 72' ' ' LEU . 21.8 m-30 -96.23 145.72 25.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.09 138.1 54.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.469 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 3.0 p90 -146.04 178.77 7.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.659 ' CZ ' HG22 ' A' ' 42' ' ' ILE . 14.3 p90 -155.12 175.25 14.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.539 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 8.7 t -124.05 99.61 6.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 108.32 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.544 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -30.65 -58.96 0.31 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.35 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.623 ' C ' ' CG ' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -75.0 132.67 15.69 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.48 1.779 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.623 ' CG ' ' C ' ' A' ' 84' ' ' PRO . 0.1 OUTLIER 80.3 -3.94 1.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.617 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -42.37 -41.21 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.372 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.74 -36.97 88.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -63.32 -14.67 52.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.66 79.97 1.37 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 14' ' ' PRO . 5.3 ttt -129.89 84.88 2.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 0.758 . . . . 0.0 111.034 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.8 m -124.62 147.66 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.469 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -141.92 160.76 27.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.93 151.9 49.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 0.72 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.92 HD13 HG11 ' A' ' 29' ' ' VAL . 84.1 mt -143.97 117.85 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.829 HG22 ' HA ' ' A' ' 22' ' ' SER . 15.1 t -106.3 155.83 19.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.43 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.697 HG13 ' C ' ' A' ' 24' ' ' SER . 37.9 t -130.3 72.72 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.587 1.18 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.999 ' CG2' HD21 ' A' ' 21' ' ' LEU . 15.0 m -120.6 174.66 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -143.53 146.1 33.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.502 ' HA ' HD13 ' A' ' 5' ' ' ILE . 7.6 mm -106.37 108.79 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.429 ' HG2' ' CG1' ' A' ' 32' ' ' VAL . 37.0 mttt -88.65 129.26 35.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.518 ' HB3' ' HE1' ' A' ' 90' ' ' MET . 4.8 mpp? -100.68 103.85 15.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.16 144.11 10.07 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.45 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 1.2 p -108.05 164.52 12.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 0.721 . . . . 0.0 110.388 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -63.66 -12.81 36.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.521 ' HE3' HD21 ' A' ' 15' ' ' LEU . 14.4 pttt -90.78 37.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 38.98 29.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.474 ' HB2' ' HG3' ' A' ' 11' ' ' LYS . . . -105.35 117.48 58.18 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.543 ' HG3' HG11 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -74.94 96.52 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.526 1.803 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.521 HD21 ' HE3' ' A' ' 11' ' ' LYS . 3.0 pp -150.2 156.97 42.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.422 ' N ' ' HG3' ' A' ' 90' ' ' MET . 4.1 m-85 -81.0 130.54 35.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.499 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 25.5 tt0 -139.58 134.01 16.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.01 139.3 60.94 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.032 -2.487 . . . . 0.0 111.023 0.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' PRO . 2.0 tttt -39.59 -39.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.42 145.18 50.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.999 HD21 ' CG2' ' A' ' 3' ' ' VAL . 12.1 tp -142.15 142.06 32.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.602 ' H ' HD12 ' A' ' 21' ' ' LEU . 8.7 t -128.93 143.83 51.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.968 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.771 HD12 ' HB2' ' A' ' 27' ' ' ASP . 18.8 pt -150.13 -175.48 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 1.009 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 8.1 m -106.67 170.18 8.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.163 . . . . 0.0 110.087 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.442 ' HA ' ' CG1' ' A' ' 96' ' ' VAL . . . -72.65 101.48 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.47 -3.29 9.51 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.771 ' HB2' HD12 ' A' ' 23' ' ' ILE . 8.9 m-20 -76.97 176.46 8.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.509 ' HG1' ' HG1' ' A' ' 71' ' ' THR . 12.1 m -122.67 154.64 37.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.638 HG12 ' CE1' ' A' ' 31' ' ' PHE . 73.2 t -132.47 103.15 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 5' ' ' ILE . 7.8 tt0 -80.02 170.2 16.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.586 1.179 . . . . 0.0 110.317 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.638 ' CE1' HG12 ' A' ' 29' ' ' VAL . 57.4 m-85 -148.97 118.07 6.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.874 HG23 ' HA ' ' A' ' 66' ' ' SER . 3.1 p -125.18 149.43 29.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.511 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 24.8 mtp -92.72 112.67 24.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.424 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.3 m120 -71.47 -67.54 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.74 -175.04 2.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.543 HG11 ' HG3' ' A' ' 14' ' ' PRO . 3.8 t 55.18 67.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.414 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -100.69 -172.47 29.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.563 1.164 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 178.5 34.41 Favored 'Cis proline' 0 C--N 1.361 1.211 0 C-N-CA 120.944 -2.523 . . . . 0.0 111.039 -0.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.511 ' CD2' ' HG2' ' A' ' 33' ' ' MET . 93.6 m-70 -133.5 -171.22 2.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.594 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -175.41 -173.2 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' ASN . 93.5 t -138.31 89.69 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.663 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 67.3 mt -122.22 100.87 9.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.44 ' N ' ' OG ' ' A' ' 56' ' ' SER . 98.1 m-85 -61.76 160.46 11.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.45 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 4.6 t70 -90.56 -50.56 5.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 4.2 mtmt 167.24 146.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.597 1.186 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 1.028 HG13 ' HB2' ' A' ' 52' ' ' ALA . 9.3 m -128.69 158.37 72.34 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.111 0 O-C-N 124.509 1.794 . . . . 0.0 111.014 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 1.028 ' HB2' HG13 ' A' ' 46' ' ' VAL . . . -54.38 -51.26 79.59 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.764 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.09 51.03 2.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -159.09 -48.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.2 mt -67.92 -21.08 65.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' A' ' 43' ' ' PHE . 3.0 m -50.7 167.17 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.975 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' VAL . 5.2 t-20 -160.57 108.1 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.1 t -89.54 21.3 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.453 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -85.75 55.67 3.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 60' ' ' LEU . 2.2 pp -40.45 127.5 2.38 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.35 117.21 30.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.2 tp -68.33 -43.95 84.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.54 120.17 12.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 131.15 14.08 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.85 -167.32 40.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.874 ' HA ' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -90.26 97.28 11.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 0.73 . . . . 0.0 110.011 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.469 ' CE2' ' SD ' ' A' ' 33' ' ' MET . 2.1 m-85 -37.51 -76.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -178.11 174.32 1.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.419 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -118.8 159.79 23.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.976 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 69' ' ' SER . 6.2 m -152.21 136.97 10.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.509 ' HG1' ' HG1' ' A' ' 28' ' ' THR . 1.9 m -95.88 147.2 23.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.96 172.45 9.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.58 -44.77 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.516 1.135 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -55.77 123.93 54.67 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.449 0.735 . . . . 0.0 110.405 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.95 143.83 29.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.26 -178.93 20.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.108 . . . . 0.0 111.058 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -103.81 125.26 50.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 110.392 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.775 ' CD2' HG11 ' A' ' 46' ' ' VAL . 7.1 m-85 -106.94 138.91 42.22 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.6 t -116.72 165.32 13.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.565 ' CE1' ' HA3' ' A' ' 92' ' ' GLY . 14.5 p90 -163.74 -178.05 5.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.663 ' CZ ' HG22 ' A' ' 42' ' ' ILE . 11.4 p90 -167.94 162.37 13.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 111.052 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.24 147.73 24.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.346 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.566 ' OG1' HD12 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -76.09 -54.95 1.92 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.446 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.02 -31.24 6.34 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.412 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 21.1 m80 -107.45 67.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.607 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -101.16 -27.48 13.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -99.32 -22.38 13.01 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.24 -10.9 55.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 80.24 54.83 3.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.518 ' HE1' ' HB3' ' A' ' 7' ' ' MET . 9.0 ttt -115.95 77.87 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 0.73 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.56 150.54 32.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 80' ' ' PHE . . . -142.15 -173.31 14.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.432 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 1.3 m -152.89 159.55 43.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.577 0.81 . . . . 0.0 110.424 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.448 HD12 ' CE2' ' A' ' 80' ' ' PHE . 5.8 mt -136.96 151.23 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' ILE . 2.7 m -130.43 138.4 50.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 53.8 t -124.79 85.94 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 1.009 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.921 HG21 HD11 ' A' ' 21' ' ' LEU . 3.0 m -126.79 177.35 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.29 148.23 36.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 5' ' ' ILE . 8.4 mm -113.34 110.99 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.532 ' HG2' HG13 ' A' ' 32' ' ' VAL . 23.2 mttt -91.21 128.92 37.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.489 ' HB3' ' HE1' ' A' ' 90' ' ' MET . 0.0 OUTLIER -101.55 98.61 8.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.05 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.64 150.41 9.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.81 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 30.4 p -115.06 155.9 26.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 110.363 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -60.17 -15.6 25.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.41 40.07 1.0 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.216 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 40.24 28.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.81 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -103.83 113.25 65.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.562 ' HG3' HG21 ' A' ' 36' ' ' VAL . 18.3 Cg_endo -75.07 89.38 1.17 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 89' ' ' GLY . 1.8 tt -140.58 170.77 15.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.589 1.18 . . . . 0.0 109.354 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.485 ' O ' HD23 ' A' ' 15' ' ' LEU . 3.6 m-85 -93.82 127.35 39.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 16.6 tt0 -131.42 130.64 22.58 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.472 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -74.98 151.84 97.44 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.959 -2.517 . . . . 0.0 110.982 -0.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -49.52 -39.86 35.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.76 152.1 44.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.921 HD11 HG21 ' A' ' 3' ' ' VAL . 11.1 tp -144.96 142.8 30.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.661 ' H ' HD12 ' A' ' 21' ' ' LEU . 9.9 t -129.57 143.09 50.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.675 HD12 ' HB2' ' A' ' 27' ' ' ASP . 12.9 pt -155.12 -175.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.471 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 5.0 p -120.9 169.34 10.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.472 1.107 . . . . 0.0 110.031 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.62 105.61 1.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.9 -7.26 8.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.675 ' HB2' HD12 ' A' ' 23' ' ' ILE . 37.5 m-20 -81.23 173.84 12.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.356 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 m -127.11 154.09 45.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 110.416 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.672 HG11 HD13 ' A' ' 94' ' ' ILE . 97.6 t -131.56 102.57 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 5' ' ' ILE . 12.2 tt0 -77.3 170.37 16.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.254 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 30' ' ' GLU . 39.8 m-85 -147.24 118.25 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.532 HG13 ' HG2' ' A' ' 6' ' ' LYS . 9.9 p -122.09 152.22 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.574 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 2.7 ttp -94.85 119.26 33.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.38 -65.78 0.91 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.492 ' C ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -171.19 -167.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.233 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.562 HG21 ' HG3' ' A' ' 14' ' ' PRO . 8.9 p 46.16 55.91 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.598 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -90.94 -171.81 43.51 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HB3' HD13 ' A' ' 62' ' ' ILE . 18.2 Cg_endo -75.03 -169.02 6.98 Favored 'Cis proline' 0 C--N 1.361 1.206 0 C-N-CA 120.925 -2.531 . . . . 0.0 111.0 -0.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.598 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 81.2 m-70 -145.52 -170.6 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.547 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 1.6 p30 171.84 167.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.744 ' O ' HD13 ' A' ' 42' ' ' ILE . 41.1 t -108.17 111.33 35.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.744 HD13 ' O ' ' A' ' 41' ' ' VAL . 6.5 mm -129.18 69.52 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -37.95 157.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.1 t70 -92.76 -49.07 6.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 1.8 mttt 167.51 149.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.954 HG22 ' HB2' ' A' ' 52' ' ' ALA . 30.0 m -131.14 159.1 73.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 110.971 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.564 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.954 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -54.67 -50.41 85.82 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.718 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.2 Cg_endo -75.01 51.02 2.68 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.564 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -159.43 -45.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.24 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.6 mt -70.22 -28.25 65.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.47 94.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -83.88 116.54 22.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 t -90.28 35.65 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -99.76 74.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.64 103.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.667 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -81.07 108.01 14.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.373 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.485 HD13 ' HB3' ' A' ' 38' ' ' PRO . 26.0 mm -72.24 -49.12 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.34 114.04 27.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.43 21.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.43 55.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.485 ' HA ' HG23 ' A' ' 32' ' ' VAL . 2.6 m 55.21 89.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.968 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.667 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 2.0 m-85 -37.49 -83.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.438 1.087 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -171.1 174.77 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.17 159.02 26.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.023 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.5 m -148.52 136.23 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.3 m -96.52 121.16 38.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.5 HD22 ' N ' ' A' ' 72' ' ' LEU . 1.9 mm? -91.87 173.21 7.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -151.48 -63.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 111.056 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.405 ' HB ' ' OH ' ' A' ' 78' ' ' TYR . 2.0 m -45.39 130.5 6.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.434 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 144.52 30.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.78 -178.59 19.62 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.2 m -106.5 118.47 36.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.371 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.95 ' CD2' HG11 ' A' ' 46' ' ' VAL . 7.1 m-85 -93.4 139.67 30.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.386 1.054 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p -121.17 146.54 46.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.474 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 8.5 p90 -147.79 -173.57 4.32 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.743 ' CB ' HG12 ' A' ' 91' ' ' VAL . 15.8 p90 -172.15 166.15 6.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.89 123.85 37.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 108.341 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.506 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -53.27 -51.32 76.47 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.4 Cg_endo -74.9 -59.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.484 1.781 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.504 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 29.4 m80 -77.51 56.16 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.388 1.055 . . . . 0.0 109.574 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -90.28 -36.0 14.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.598 1.186 . . . . 0.0 110.335 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.34 -29.62 16.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.01 -13.94 60.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 0.733 . . . . 0.0 109.318 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.655 ' O ' HD12 ' A' ' 15' ' ' LEU . . . 81.93 83.02 0.83 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.489 ' HE1' ' HB3' ' A' ' 7' ' ' MET . 9.9 ttt -141.51 77.15 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 111.061 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.743 HG12 ' CB ' ' A' ' 81' ' ' TYR . 4.6 m -130.14 147.4 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.474 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -138.31 -171.64 12.25 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.546 1.154 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.4 m -147.0 160.21 42.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 110.411 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.672 HD13 HG11 ' A' ' 29' ' ' VAL . 94.9 mt -144.56 125.55 8.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.391 1.057 . . . . 0.0 109.266 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ILE . 64.0 m -106.89 143.84 34.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.375 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.734 HG12 ' O ' ' A' ' 96' ' ' VAL . 3.8 t -127.73 75.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.241 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.471 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 1.9 mt-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.612 1.195 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 1.149 HG21 HD11 ' A' ' 21' ' ' LEU . 16.1 m -116.05 171.09 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.427 ' CB ' ' HB3' ' A' ' 30' ' ' GLU . 6.3 pt20 -136.69 164.53 28.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' GLU . 8.2 mm -123.81 117.81 52.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.585 1.178 . . . . 0.0 109.284 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.477 ' HG2' HG13 ' A' ' 32' ' ' VAL . 3.2 mtmt -99.16 133.83 42.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.423 ' HG2' ' CE ' ' A' ' 90' ' ' MET . 7.6 mtm -105.07 99.95 9.56 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.5 145.63 9.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.627 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 2.3 p -108.69 160.74 15.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 0.775 . . . . 0.0 110.35 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -60.15 -15.72 26.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' ALA . 6.3 ttmt -90.74 39.79 1.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.179 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 38.11 29.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.627 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -104.29 116.98 60.41 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.542 ' HG3' HG21 ' A' ' 36' ' ' VAL . 18.3 Cg_endo -75.01 95.06 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.418 1.746 . . . . 0.0 111.053 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.529 HD11 HG21 ' A' ' 9' ' ' THR . 1.8 pp -149.22 152.27 35.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.415 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 2.5 m-85 -78.09 128.28 33.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 14.4 tt0 -132.15 134.25 24.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.02 142.06 73.62 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.95 0.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -39.94 7.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.71 141.33 48.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.149 HD11 HG21 ' A' ' 3' ' ' VAL . 13.9 tp -142.99 139.22 30.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.366 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.423 ' C ' HG23 ' A' ' 23' ' ' ILE . 9.2 t -130.2 143.06 50.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.658 HG13 HG22 ' A' ' 96' ' ' VAL . 20.2 pt -151.87 -175.15 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.619 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 47.2 t -117.51 -176.38 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.02 102.66 10.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.32 -5.72 8.75 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.583 ' HB2' HD12 ' A' ' 23' ' ' ILE . 22.6 m-20 -77.85 174.02 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 m -121.88 160.14 25.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.778 HG11 HD13 ' A' ' 94' ' ' ILE . 89.9 t -136.68 104.31 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -79.41 167.99 20.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.108 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CE1' HG12 ' A' ' 29' ' ' VAL . 50.6 m-85 -148.8 125.0 10.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.878 HG23 ' HA ' ' A' ' 66' ' ' SER . 4.8 p -135.46 151.91 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.556 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 21.9 mtp -97.04 118.39 33.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.455 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.1 m120 -75.82 -66.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.51 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -169.03 -166.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.542 HG21 ' HG3' ' A' ' 14' ' ' PRO . 11.4 p 46.68 52.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.596 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -88.75 -170.15 45.23 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.452 1.095 . . . . 0.0 111.047 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.55 9.55 Favored 'Cis proline' 0 C--N 1.359 1.106 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.029 -0.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.596 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 84.7 m-70 -145.33 -169.71 3.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.544 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.525 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 2.7 p30 169.61 169.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.666 ' O ' HD13 ' A' ' 42' ' ' ILE . 86.4 t -110.03 113.82 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.231 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.666 HD13 ' O ' ' A' ' 41' ' ' VAL . 13.7 mm -134.4 70.52 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.436 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 82.0 m-85 -39.1 159.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 2.3 t70 -93.09 -49.96 5.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 5.8 mttt 167.58 149.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.976 HG22 ' HB2' ' A' ' 52' ' ' ALA . 27.8 m -130.17 159.01 72.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.116 0 O-C-N 124.591 1.837 . . . . 0.0 110.979 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.976 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -50.19 -50.9 67.28 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.417 1.073 . . . . 0.0 109.274 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.735 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -75.1 51.2 2.76 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.41 -45.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.078 . . . . 0.0 109.349 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' A' ' 55' ' ' LEU . 13.0 mt -67.87 -33.08 74.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.19 112.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -108.47 129.49 55.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.5 t -91.08 30.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -86.56 54.52 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.637 HD11 HD11 ' A' ' 62' ' ' ILE . 1.8 pp -41.52 119.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.69 109.71 20.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.637 HD11 HD11 ' A' ' 60' ' ' LEU . 25.8 mm -71.89 -50.51 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.68 147.08 94.32 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.252 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.54 21.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.46 -172.66 41.78 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.878 ' HA ' HG23 ' A' ' 32' ' ' VAL . 57.5 p -94.16 104.73 16.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 0.749 . . . . 0.0 110.06 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.525 ' CZ ' ' HA ' ' A' ' 40' ' ' ASN . 1.8 m-85 -37.14 -73.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.3 p90 173.42 173.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 111.041 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.42 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -111.95 156.2 22.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 110.041 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 69' ' ' SER . 2.2 m -151.67 138.01 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.541 1.15 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.3 m -90.56 155.05 19.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.6 mt -132.8 163.27 29.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.02 -49.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.42 ' HB ' ' OH ' ' A' ' 78' ' ' TYR . 1.0 OUTLIER -49.67 121.12 11.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.395 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.97 27.25 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.477 1.777 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.09 -179.22 19.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.2 t -99.94 123.25 43.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 0.746 . . . . 0.0 110.392 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.844 ' CD2' HG11 ' A' ' 46' ' ' VAL . 7.9 m-85 -100.17 134.38 43.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 m -120.39 140.02 51.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.493 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 3.1 p90 -141.34 -171.07 3.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -172.24 168.55 5.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.96 114.13 25.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 108.306 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.509 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -43.47 -51.18 15.73 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.92 -61.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.452 1.764 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -77.77 71.12 4.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.612 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -99.7 -39.62 8.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.67 -21.82 38.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.13 -9.91 50.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.434 0.726 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.65 65.75 1.94 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.474 1.109 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.423 ' CE ' ' HG2' ' A' ' 7' ' ' MET . 8.4 ttt -127.24 77.26 1.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 0.733 . . . . 0.0 111.046 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.8 m -128.44 156.31 40.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.148 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.412 ' C ' ' CE1' ' A' ' 80' ' ' PHE . . . -146.52 -168.63 13.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.441 1.088 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -146.82 161.5 40.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 0.733 . . . . 0.0 110.387 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.778 HD13 HG11 ' A' ' 29' ' ' VAL . 58.6 mt -150.41 115.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.546 1.154 . . . . 0.0 109.38 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' ILE . 97.5 m -102.92 147.51 26.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.407 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 96' ' ' VAL . 6.0 t -127.63 72.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.619 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.922 HG21 HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -115.86 174.02 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -144.0 153.61 42.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.492 HG21 ' CE2' ' A' ' 31' ' ' PHE . 5.6 mm -119.04 113.92 43.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.628 ' HG2' HG13 ' A' ' 32' ' ' VAL . 27.5 mttt -94.61 130.09 41.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.46 ' CE ' ' HB3' ' A' ' 31' ' ' PHE . 6.5 mtm -100.22 101.52 12.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.15 146.13 8.86 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.834 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 16.7 p -109.95 159.04 17.61 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 0.73 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -58.49 -16.99 17.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.18 40.65 1.01 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 38.35 29.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.056 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.834 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -101.71 115.47 64.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.746 ' HG3' HG11 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -75.03 85.8 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.551 1.816 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 89' ' ' GLY . 0.8 OUTLIER -137.49 171.07 15.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.411 1.069 . . . . 0.0 109.281 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.433 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.3 m-85 -94.66 128.86 41.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.466 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 24.6 tt0 -136.18 127.56 17.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.223 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.92 158.36 99.02 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.027 -0.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -61.92 -39.59 92.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.71 145.65 48.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.922 HD11 HG21 ' A' ' 3' ' ' VAL . 11.5 tp -141.74 140.85 33.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.609 ' H ' HD12 ' A' ' 21' ' ' LEU . 9.8 t -129.39 143.13 50.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.827 HD12 ' HB2' ' A' ' 27' ' ' ASP . 15.2 pt -153.16 -175.15 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 1.01 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 16.0 m -119.92 161.56 20.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 109.968 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.61 106.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.367 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.0 -8.24 8.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.827 ' HB2' HD12 ' A' ' 23' ' ' ILE . 6.6 m-20 -80.12 175.22 10.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.404 HG23 ' C ' ' A' ' 70' ' ' VAL . 28.9 m -128.72 157.65 40.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.521 HG13 ' CD2' ' A' ' 21' ' ' LEU . 61.9 t -136.45 109.6 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 5' ' ' ILE . 3.0 tm-20 -86.76 169.9 12.21 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 1.11 . . . . 0.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.492 ' CE2' HG21 ' A' ' 5' ' ' ILE . 38.2 m-85 -147.57 120.77 8.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.628 HG13 ' HG2' ' A' ' 6' ' ' LYS . 10.0 p -124.28 156.11 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.429 ' CG ' ' CD2' ' A' ' 39' ' ' HIS . 1.9 ttp -96.4 124.5 40.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.491 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.3 m120 -86.27 -62.0 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.16 -171.58 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.746 HG11 ' HG3' ' A' ' 14' ' ' PRO . 2.6 t 47.19 61.38 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.58 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -99.4 -173.25 31.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.593 1.183 . . . . 0.0 111.032 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -169.19 7.13 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.018 -0.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.58 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 75.8 m-70 -143.99 -169.93 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.63 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.9 OUTLIER 179.37 163.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 56' ' ' SER . 26.5 t -108.84 84.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.99 HD12 ' OG1' ' A' ' 83' ' ' THR . 22.8 mt -108.8 91.24 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -56.67 163.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 7.0 t0 -93.63 -50.11 5.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 1.1 mttt 167.83 147.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.91 HG13 ' HB2' ' A' ' 52' ' ' ALA . 15.0 m -128.31 158.26 71.94 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.425 1.75 . . . . 0.0 110.974 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.55 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.91 ' HB2' HG13 ' A' ' 46' ' ' VAL . . . -55.28 -52.79 68.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.793 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.92 51.02 2.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.55 1.816 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.55 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -157.9 -45.57 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.596 1.185 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.29 -31.05 69.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 1.5 m -44.09 129.36 6.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -127.8 86.07 2.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.457 ' CB ' HD11 ' A' ' 42' ' ' ILE . 9.7 t -57.8 -16.43 11.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 95.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.2 OUTLIER -67.53 96.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.838 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -83.5 102.61 12.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.475 HG23 ' N ' ' A' ' 63' ' ' ALA . 10.0 tp -72.87 -51.94 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.475 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -39.66 100.05 0.21 Allowed Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.08 131.68 14.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.2 -57.75 0.13 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.594 1.184 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.615 ' HA ' HG23 ' A' ' 32' ' ' VAL . 17.8 p 173.36 91.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.838 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 1.9 m-85 -37.63 -83.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -177.16 178.64 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.82 ' O ' HG13 ' A' ' 70' ' ' VAL . 11.4 t -125.74 -179.47 4.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.82 HG13 ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -168.83 141.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 27' ' ' ASP . 52.2 m -100.32 145.23 28.39 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 110.37 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.6 mt -120.16 173.05 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.85 -44.54 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.125 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.3 m -61.02 129.99 90.89 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 0.0 110.443 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.0 145.35 31.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.553 1.817 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.14 -179.89 20.33 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.8 t -107.89 122.3 46.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.79 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.573 ' CD2' HG11 ' A' ' 46' ' ' VAL . 30.2 m-85 -97.84 132.5 43.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -114.98 143.55 44.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.566 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 13.2 p90 -144.03 -176.28 4.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.386 1.054 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.535 ' CB ' HG12 ' A' ' 91' ' ' VAL . 14.9 p90 -172.91 152.75 2.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -83.99 140.88 31.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 108.324 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.99 ' OG1' HD12 ' A' ' 42' ' ' ILE . 1.2 m -77.9 -45.8 2.34 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.377 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -74.98 -38.45 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.593 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 31.5 m80 -105.67 45.25 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.632 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -79.08 -36.6 40.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.25 -24.03 25.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.18 -11.23 58.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.751 ' O ' HD12 ' A' ' 15' ' ' LEU . . . 82.53 71.25 1.31 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 16' ' ' TYR . 14.4 ttt -134.76 84.6 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.753 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.535 HG12 ' CB ' ' A' ' 81' ' ' TYR . 3.2 m -133.01 156.04 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.566 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -147.14 -171.51 16.4 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.445 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -152.28 156.73 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 0.717 . . . . 0.0 110.351 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.569 HG12 HD23 ' A' ' 21' ' ' LEU . 14.6 mt -138.8 134.88 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' ILE . 5.7 m -116.19 140.27 49.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.739 HG12 ' O ' ' A' ' 96' ' ' VAL . 4.2 t -124.8 74.83 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 1.01 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.9 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.852 HG21 HD11 ' A' ' 21' ' ' LEU . 35.5 m -111.81 167.24 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -131.78 147.28 52.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.571 ' HB ' ' CD1' ' A' ' 31' ' ' PHE . 14.3 mm -115.31 107.53 23.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.73 ' HG2' HG13 ' A' ' 32' ' ' VAL . 10.2 mttp -84.97 137.58 33.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 3.8 mpp? -99.98 110.31 22.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 101.35 162.39 27.31 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.882 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 2.8 p -124.69 156.67 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.424 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -61.14 -15.04 29.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.22 41.37 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 38.88 30.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.882 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -102.24 107.59 53.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.406 ' C ' ' SD ' ' A' ' 90' ' ' MET . 18.5 Cg_endo -75.06 78.08 3.0 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.686 HD23 ' HB1' ' A' ' 13' ' ' ALA . 2.2 pp -141.25 160.91 39.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.424 ' N ' ' HG3' ' A' ' 90' ' ' MET . 5.7 m-85 -77.09 139.85 40.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.514 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 22.6 tt0 -142.98 134.15 12.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.234 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.514 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.03 141.5 71.91 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 121.011 -2.496 . . . . 0.0 110.931 -0.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' PRO . 1.1 mttt -39.0 -36.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.34 150.41 49.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.852 HD11 HG21 ' A' ' 3' ' ' VAL . 12.7 tp -147.47 145.3 29.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.528 ' H ' HD12 ' A' ' 21' ' ' LEU . 7.9 t -130.55 144.87 51.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.545 HG13 HG22 ' A' ' 96' ' ' VAL . 15.5 pt -155.42 -175.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.706 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 7.8 m -123.64 164.4 19.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.047 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.19 106.04 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.31 -8.38 8.45 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.487 ' HB2' HD12 ' A' ' 23' ' ' ILE . 8.8 m-20 -80.02 174.01 12.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.3 m -122.68 150.61 42.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.405 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.949 HG11 HD13 ' A' ' 94' ' ' ILE . 75.3 t -129.68 92.28 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -71.75 168.19 18.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.319 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 5' ' ' ILE . 66.5 m-85 -146.41 125.77 13.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.843 HG23 ' HA ' ' A' ' 66' ' ' SER . 8.0 p -137.06 148.43 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.393 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.488 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 7.9 mtp -78.09 113.92 16.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -73.54 -67.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.738 ' C ' HG23 ' A' ' 36' ' ' VAL . 7.4 tttt -175.48 146.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.738 HG23 ' C ' ' A' ' 35' ' ' LYS . 2.8 t 85.4 69.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.439 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -99.13 -171.26 31.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 174.71 51.29 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.91 0.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.488 ' CD2' ' HG2' ' A' ' 33' ' ' MET . 93.7 m-70 -131.09 -171.14 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.628 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.432 ' ND2' HG12 ' A' ' 42' ' ' ILE . 27.6 p-10 -176.9 -166.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.4 t -143.05 89.82 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.397 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.846 HD13 ' HB3' ' A' ' 56' ' ' SER . 18.2 mm -120.95 97.67 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -64.64 160.48 19.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.451 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -89.67 -48.64 7.14 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER 166.87 145.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.831 HG22 ' HB2' ' A' ' 52' ' ' ALA . 21.0 m -127.72 158.27 70.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.556 1.819 . . . . 0.0 110.971 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.2 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.831 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -55.48 -52.95 67.53 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.8 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -74.99 50.94 2.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.453 1.765 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -159.46 -45.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.01 -27.15 66.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.846 ' HB3' HD13 ' A' ' 42' ' ' ILE . 1.8 m -48.72 111.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.026 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -106.56 120.48 42.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.479 ' O ' HD23 ' A' ' 60' ' ' LEU . 8.9 t -90.33 23.7 2.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.44 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -85.5 57.88 4.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -54.2 119.57 5.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.24 120.33 26.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.6 mm -69.47 -46.13 76.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.99 152.63 59.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 132.44 15.5 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.433 1.754 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 178.6 166.86 35.44 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.843 ' HA ' HG23 ' A' ' 32' ' ' VAL . 34.7 t -76.02 96.33 3.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 0.721 . . . . 0.0 110.074 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' SER . 6.0 m-85 -37.57 -86.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -167.94 174.27 7.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.52 150.69 43.66 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.525 1.14 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.478 HG23 HD21 ' A' ' 72' ' ' LEU . 32.0 m -145.67 136.4 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.572 ' C ' HD22 ' A' ' 72' ' ' LEU . 2.7 m -92.34 128.25 38.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.096 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -102.57 173.68 6.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.57 -51.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 1.0 OUTLIER -46.74 124.96 8.01 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 0.0 110.385 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.02 141.4 26.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.54 1.811 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.79 -179.24 19.43 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.1 t -103.68 121.54 43.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 0.741 . . . . 0.0 110.451 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.8 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.9 m-85 -97.7 135.1 39.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p -114.17 148.44 37.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.177 . . . . 0.0 110.002 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.489 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 1.9 p90 -153.03 174.74 13.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.969 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.559 ' CB ' HG12 ' A' ' 91' ' ' VAL . 16.3 p90 -164.01 157.43 18.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.392 1.058 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.25 131.13 35.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.593 1.183 . . . . 0.0 108.271 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.52 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -62.78 -50.58 76.97 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.5 Cg_endo -74.87 -49.01 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.5 1.789 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.492 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 29.8 m80 -88.05 44.48 1.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.639 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -81.63 -38.97 25.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.4 -30.47 16.17 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.26 -14.75 61.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 0.789 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 85.67 86.83 0.98 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.459 ' CG ' ' HA ' ' A' ' 15' ' ' LEU . 8.0 ttt -148.42 78.42 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 0.717 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.559 HG12 ' CB ' ' A' ' 81' ' ' TYR . 15.8 m -124.25 146.76 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.489 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -138.96 175.04 21.8 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.486 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 1.2 m -138.58 158.68 43.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 110.431 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.949 HD13 HG11 ' A' ' 29' ' ' VAL . 94.1 mt -146.13 128.0 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' ILE . 92.7 m -108.78 145.67 34.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.391 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.733 HG12 ' O ' ' A' ' 96' ' ' VAL . 3.1 t -128.82 77.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.706 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.878 HG21 HD11 ' A' ' 21' ' ' LEU . 2.6 m -115.18 177.35 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -144.86 158.58 43.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -133.45 125.53 50.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 0.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.401 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 16.0 mttp -97.46 122.42 40.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.588 1.18 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.811 ' HE3' ' CE1' ' A' ' 16' ' ' TYR . 8.1 mtp -87.9 100.39 12.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.45 148.29 9.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.567 HG21 HD11 ' A' ' 15' ' ' LEU . 1.7 p -113.21 161.53 17.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 0.0 110.365 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.11 -13.19 33.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.45 ' HG3' ' CB ' ' A' ' 13' ' ' ALA . 4.9 ptpt -90.66 38.37 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 37.86 33.39 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.45 ' CB ' ' HG3' ' A' ' 11' ' ' LYS . . . -112.09 118.06 46.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.452 ' HG3' HG21 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -75.02 97.8 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.567 HD11 HG21 ' A' ' 9' ' ' THR . 1.3 pp -149.29 151.89 34.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.811 ' CE1' ' HE3' ' A' ' 7' ' ' MET . 27.7 m-85 -77.24 132.59 38.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 6.6 tt0 -132.83 131.18 21.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -75.01 158.47 98.97 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.035 0.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -39.62 62.32 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.71 147.56 48.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.878 HD11 HG21 ' A' ' 3' ' ' VAL . 8.4 tp -142.01 141.05 32.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.225 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.724 ' H ' HD12 ' A' ' 21' ' ' LEU . 9.7 t -129.93 143.21 50.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.804 HD12 ' HB2' ' A' ' 27' ' ' ASP . 11.6 pt -153.7 -174.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.379 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 p -122.9 171.18 9.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.579 1.174 . . . . 0.0 110.038 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.37 101.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.73 -4.13 7.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.804 ' HB2' HD12 ' A' ' 23' ' ' ILE . 9.8 m-20 -82.73 175.83 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 0.729 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.4 m -129.86 157.01 43.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.373 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.824 HG11 HD13 ' A' ' 94' ' ' ILE . 48.1 t -134.98 107.67 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -89.02 148.25 23.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 0.0 110.254 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.411 ' N ' ' OE2' ' A' ' 30' ' ' GLU . 61.6 m-85 -126.36 122.4 35.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.873 HG23 ' CB ' ' A' ' 66' ' ' SER . 2.2 p -128.08 139.2 52.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.363 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 45.7 mtp -86.49 113.44 22.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.34 -67.59 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.506 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -166.93 -164.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 35' ' ' LYS . 7.9 p 46.41 58.86 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.576 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -92.69 -171.64 40.78 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.453 ' HB3' HD13 ' A' ' 62' ' ' ILE . 18.3 Cg_endo -75.03 -171.2 9.06 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.94 0.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.576 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 90.1 m-70 -145.48 -171.34 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.635 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.543 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 38.1 p-10 179.77 -154.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 57' ' ' ASN . 90.0 t -152.93 98.51 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.573 HD13 ' HB2' ' A' ' 56' ' ' SER . 18.3 mm -120.03 77.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.453 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 96.7 m-85 -45.38 155.92 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 7.1 t0 -87.64 -54.23 4.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 3.2 mttp 169.32 147.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.062 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.925 ' HB ' ' HB2' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -128.07 163.09 46.08 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.872 ' HD2' HG22 ' A' ' 46' ' ' VAL . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.11 0 O-C-N 124.585 1.834 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.584 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.925 ' HB2' ' HB ' ' A' ' 46' ' ' VAL . . . -54.73 -52.62 68.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.248 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.786 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.03 51.17 2.73 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 110.995 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.584 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -157.65 -45.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.09 -17.17 64.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.241 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.573 ' HB2' HD13 ' A' ' 42' ' ' ILE . 2.0 p -53.59 148.13 10.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.973 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -115.53 112.39 22.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.2 t -90.3 23.63 2.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.407 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -108.82 74.59 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -50.75 113.85 1.01 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.74 110.69 15.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.453 HD13 ' HB3' ' A' ' 38' ' ' PRO . 40.4 mm -74.23 -50.41 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . . . -74.07 140.31 76.87 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 63' ' ' ALA . 18.1 Cg_endo -74.99 147.9 34.59 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.408 ' C ' ' HG ' ' A' ' 66' ' ' SER . . . 172.34 -110.37 0.34 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.873 ' CB ' HG23 ' A' ' 32' ' ' VAL . 2.5 m -168.3 106.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 0.741 . . . . 0.0 109.997 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.543 ' CZ ' ' HA ' ' A' ' 40' ' ' ASN . 24.0 m-85 -39.88 -87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.625 1.203 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.45 ' CE2' ' ND2' ' A' ' 57' ' ' ASN . 11.3 p90 -178.4 -178.08 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.45 159.21 21.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -150.19 143.43 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.2 m -98.99 141.7 31.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.8 mt -113.87 171.43 7.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -152.93 -50.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.412 ' HB ' ' OH ' ' A' ' 78' ' ' TYR . 1.2 m -50.96 126.56 25.48 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.45 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 141.38 26.65 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.07 -178.51 20.14 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 52.5 m -104.02 118.73 37.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.785 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.903 ' CD2' HG21 ' A' ' 46' ' ' VAL . 7.1 m-85 -91.82 134.18 34.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p -119.32 147.3 44.46 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.456 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 12.2 p90 -154.66 -170.78 3.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.484 ' HB3' HG12 ' A' ' 91' ' ' VAL . 8.2 p90 -178.82 169.57 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.56 151.27 21.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 108.274 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.45 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -76.56 -54.88 1.71 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.382 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.45 ' HD3' ' CB ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.04 -46.35 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.575 1.829 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.44 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 21.2 m80 -86.47 48.04 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.564 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -84.77 -23.71 29.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -102.42 -22.93 9.28 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.73 -12.31 58.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.17 53.9 3.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.521 ' HE1' ' HB3' ' A' ' 7' ' ' MET . 8.1 ttt -111.74 75.42 0.92 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.578 0.81 . . . . 0.0 111.075 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.484 HG12 ' HB3' ' A' ' 81' ' ' TYR . 17.4 m -122.43 147.67 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.456 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -142.24 -175.64 15.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.431 ' N ' ' CE1' ' A' ' 80' ' ' PHE . 1.6 m -149.95 160.91 43.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 110.351 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.824 HD13 HG11 ' A' ' 29' ' ' VAL . 81.7 mt -147.88 117.86 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 23' ' ' ILE . 18.6 m -101.49 146.01 28.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.756 HG12 ' O ' ' A' ' 96' ' ' VAL . 3.9 t -127.35 74.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.782 ' OXT' ' HG3' ' A' ' 97' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.877 HG21 HD11 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -109.32 175.77 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.409 1.068 . . . . 0.0 109.249 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -141.65 159.33 42.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.331 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.524 ' HB ' ' CD2' ' A' ' 31' ' ' PHE . 9.2 mm -126.09 112.65 30.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.381 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.616 ' HG2' HG13 ' A' ' 32' ' ' VAL . 4.0 mtmt -91.13 136.42 33.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.497 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 9.5 mtm -105.38 98.2 7.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.432 1.083 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.05 149.61 8.39 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.547 1.154 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.751 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 6.7 p -115.4 152.07 33.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -58.67 -16.56 16.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -90.09 40.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' LYS . 76.6 m-85 37.7 51.89 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.587 1.18 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.751 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -130.94 116.92 17.04 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.44 ' HB2' ' CG ' ' A' ' 85' ' ' HIS . 18.1 Cg_endo -75.06 91.47 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.53 1.805 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.711 HD11 HG21 ' A' ' 9' ' ' THR . 2.7 pp -146.06 153.95 41.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.497 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 17.0 m-85 -80.13 125.27 29.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 43.8 tt0 -129.88 130.46 23.16 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.04 152.0 97.59 Favored 'Cis proline' 0 C--N 1.361 1.212 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.023 0.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -61.12 -36.81 80.74 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.429 1.081 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 19' ' ' LYS . . . -117.67 140.73 49.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.877 HD11 HG21 ' A' ' 3' ' ' VAL . 12.7 tp -145.39 143.03 29.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.508 ' H ' HD12 ' A' ' 21' ' ' LEU . 10.6 t -130.65 142.94 50.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.581 HG13 HG22 ' A' ' 96' ' ' VAL . 30.6 pt -151.82 -175.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.9 m -121.63 165.42 15.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.44 106.18 0.88 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.13 -8.56 8.52 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.436 1.085 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.501 ' HB2' HD12 ' A' ' 23' ' ' ILE . 6.2 m-20 -80.47 173.7 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.47 HG23 ' C ' ' A' ' 70' ' ' VAL . 36.1 m -126.85 158.8 35.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.773 HG11 HD13 ' A' ' 94' ' ' ILE . 71.6 t -136.21 112.17 12.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 5' ' ' ILE . 39.7 tt0 -88.32 167.96 13.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.524 ' CD2' ' HB ' ' A' ' 5' ' ' ILE . 80.1 m-85 -146.21 121.05 9.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 111.059 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.616 HG13 ' HG2' ' A' ' 6' ' ' LYS . 9.7 p -124.25 151.29 29.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.1 ttp -95.96 116.02 28.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.441 ' C ' ' HG3' ' A' ' 35' ' ' LYS . 1.7 m120 -74.82 -70.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.721 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -167.49 -167.05 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.721 HG12 ' O ' ' A' ' 35' ' ' LYS . 7.6 p 50.43 41.05 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.621 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -80.02 -171.11 42.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -166.76 5.13 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.997 0.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.621 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 82.5 m-70 -148.18 -170.58 3.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.664 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.568 ' ND2' HD12 ' A' ' 42' ' ' ILE . 10.1 p-10 -171.5 -178.63 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.6 t -132.69 88.73 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.568 HD12 ' ND2' ' A' ' 40' ' ' ASN . 70.0 mt -120.09 103.26 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.412 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 97.5 m-85 -68.94 157.59 36.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -85.45 -49.5 8.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.229 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER 167.25 149.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.97 HG11 ' CD2' ' A' ' 78' ' ' TYR . 28.4 m -128.71 158.66 71.47 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.197 0 O-C-N 124.53 1.805 . . . . 0.0 111.001 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.0 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.904 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -50.71 -51.87 61.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -74.99 50.76 2.61 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.18 -45.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.0 mt -69.34 -30.77 68.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 m -44.11 167.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.377 1.048 . . . . 0.0 109.966 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -169.8 110.63 0.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.133 . . . . 0.0 109.353 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 t -89.31 38.93 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.17 . . . . 0.0 110.402 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -98.63 72.02 1.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.39 108.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.601 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -99.33 107.31 19.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ALA . 7.4 tp -69.42 -47.58 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -39.9 100.23 0.21 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 62' ' ' ILE . 18.3 Cg_endo -74.93 132.03 15.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.441 1.759 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.498 ' O ' HG23 ' A' ' 32' ' ' VAL . . . 172.9 -79.46 0.08 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.113 . . . . 0.0 111.046 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.525 ' HA ' HG23 ' A' ' 32' ' ' VAL . 5.1 m -168.43 97.03 0.41 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.581 0.812 . . . . 0.0 109.991 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.601 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 5.1 m-85 -43.43 -85.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -175.91 177.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.8 ' O ' HG13 ' A' ' 70' ' ' VAL . 11.4 t -123.68 -179.4 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.8 HG13 ' O ' ' A' ' 69' ' ' SER . 2.7 m -163.25 139.31 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.478 ' C ' HD22 ' A' ' 72' ' ' LEU . 24.2 m -96.55 118.74 33.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.606 HD22 ' N ' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -98.92 173.53 6.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.684 ' O ' HG11 ' A' ' 96' ' ' VAL . . . -155.07 -59.93 0.01 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.407 ' HB ' ' OH ' ' A' ' 78' ' ' TYR . 1.2 m -38.85 131.56 1.13 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.596 0.821 . . . . 0.0 110.48 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 147.09 33.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 135.18 -178.77 18.31 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.576 1.173 . . . . 0.0 110.964 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.1 m -107.93 119.21 38.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 110.392 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.97 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.9 m-85 -93.99 133.6 37.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 p -116.73 148.64 40.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.564 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 6.7 p90 -151.27 -174.9 4.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.411 ' CZ ' HG22 ' A' ' 42' ' ' ILE . 17.3 p90 -170.82 164.68 7.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.23 150.82 23.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.228 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.487 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.6 OUTLIER -79.12 -52.46 1.19 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.0 Cg_endo -75.04 -46.91 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.44 ' CG ' ' HB2' ' A' ' 14' ' ' PRO . 23.3 m80 -89.51 49.16 1.7 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.557 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -83.33 -31.1 27.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.367 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.77 -21.53 18.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.13 -13.4 61.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 0.728 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.91 60.23 1.98 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.552 1.158 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.43 ' CG ' ' HA ' ' A' ' 15' ' ' LEU . 8.7 ttt -119.18 81.42 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.776 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.493 HG12 ' H ' ' A' ' 92' ' ' GLY . 0.8 OUTLIER -112.2 176.84 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.564 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -170.23 176.9 43.76 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.463 ' N ' ' CE1' ' A' ' 80' ' ' PHE . 1.7 m -153.15 162.03 41.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.773 HD13 HG11 ' A' ' 29' ' ' VAL . 56.1 mt -151.65 122.64 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' ILE . 95.7 m -104.22 146.6 28.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.387 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.752 HG12 ' O ' ' A' ' 96' ' ' VAL . 4.1 t -126.71 74.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 23' ' ' ILE . 1.9 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.234 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.832 HG21 HD11 ' A' ' 21' ' ' LEU . 32.0 m -110.18 176.78 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -146.47 158.42 43.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.578 HD13 ' HD2' ' A' ' 18' ' ' PRO . 11.7 mm -123.42 111.65 30.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.58 ' HG2' HG13 ' A' ' 32' ' ' VAL . 7.0 mttp -89.14 142.36 27.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.421 ' HE1' ' HB3' ' A' ' 31' ' ' PHE . 12.5 mtm -110.28 100.13 9.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.07 154.74 11.2 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.847 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 2.0 p -117.88 156.54 28.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -58.28 -17.03 16.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.605 1.19 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 13' ' ' ALA . 9.2 mttt -90.12 41.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 38.25 30.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.847 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -101.58 112.49 65.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.604 ' HG3' HG11 ' A' ' 36' ' ' VAL . 18.3 Cg_endo -75.0 82.87 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.423 1.749 . . . . 0.0 111.058 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.475 HD23 ' HB1' ' A' ' 13' ' ' ALA . 3.7 pp -141.05 156.63 45.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.511 ' CD2' ' HG2' ' A' ' 90' ' ' MET . 9.4 m-85 -78.31 137.92 38.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.486 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 8.9 tt0 -142.34 131.37 11.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.578 ' HD2' HD13 ' A' ' 5' ' ' ILE . 18.5 Cg_endo -74.94 150.48 95.52 Favored 'Cis proline' 0 C--N 1.361 1.207 0 C-N-CA 121.032 -2.487 . . . . 0.0 110.996 -0.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -47.45 -40.07 17.23 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.573 1.171 . . . . 0.0 109.278 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.38 152.04 46.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.832 HD11 HG21 ' A' ' 3' ' ' VAL . 8.7 tp -144.69 143.54 30.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.759 ' H ' HD12 ' A' ' 21' ' ' LEU . 10.1 t -128.06 142.92 51.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.561 HG13 HG22 ' A' ' 96' ' ' VAL . 20.5 pt -152.84 -175.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.587 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 13.7 m -118.71 173.34 6.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 110.081 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.25 104.09 3.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.91 -5.2 9.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.468 ' HB2' HD12 ' A' ' 23' ' ' ILE . 17.2 m-20 -81.93 173.11 12.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.448 HG23 ' C ' ' A' ' 70' ' ' VAL . 32.4 m -123.09 158.24 31.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.445 1.091 . . . . 0.0 110.436 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.053 HG11 ' CD1' ' A' ' 94' ' ' ILE . 73.8 t -134.22 104.54 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 5' ' ' ILE . 3.3 tt0 -79.89 167.45 20.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.642 ' CE1' HG12 ' A' ' 29' ' ' VAL . 60.9 m-85 -147.51 127.97 14.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.672 HG23 ' HA ' ' A' ' 66' ' ' SER . 7.4 p -134.43 154.32 37.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 61' ' ' ALA . 16.9 mtp -98.96 110.32 22.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -69.36 -68.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.442 ' O ' ' NE2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -166.56 -167.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.087 . . . . 0.0 109.342 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.604 HG11 ' HG3' ' A' ' 14' ' ' PRO . 1.9 t 49.22 50.3 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.574 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -99.09 -167.57 30.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.158 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.447 ' HG3' ' CD1' ' A' ' 62' ' ' ILE . 18.3 Cg_endo -74.98 178.92 32.53 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.961 -2.516 . . . . 0.0 111.023 -0.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.574 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 33.7 m-70 -134.26 -171.05 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 2.1 p30 -175.56 166.55 3.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.437 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 92.6 t -109.46 108.55 25.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.572 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 4.5 mm -129.47 76.26 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CE1' ' CG1' ' A' ' 41' ' ' VAL . 75.7 m-85 -48.68 168.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.45 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 8.6 t0 -104.79 -50.15 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER 167.94 142.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.907 HG11 ' CD2' ' A' ' 78' ' ' TYR . 5.3 m -127.71 154.71 77.87 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.681 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.837 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -77.17 -52.72 1.8 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.785 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -74.98 0.43 8.9 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.545 1.813 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.681 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -105.7 -35.93 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.2 mt -67.79 -39.95 83.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.12 126.5 14.7 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -127.83 130.46 48.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 t -89.5 20.16 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -88.31 65.14 7.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 39' ' ' HIS . 0.2 OUTLIER -54.93 131.38 44.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.4 ' O ' ' SD ' ' A' ' 33' ' ' MET . . . -91.32 123.54 34.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.447 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 5.8 mm -84.81 -45.39 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.419 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . . . -78.4 142.93 63.35 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 63' ' ' ALA . 18.2 Cg_endo -75.11 176.28 10.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.432 1.754 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.413 ' O ' HG23 ' A' ' 32' ' ' VAL . . . 138.26 -85.94 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.539 1.15 . . . . 0.0 111.015 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.672 ' HA ' HG23 ' A' ' 32' ' ' VAL . 22.3 p 178.4 106.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 0.757 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 66' ' ' SER . 1.0 OUTLIER -37.32 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.7 p90 177.68 173.95 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.424 ' CB ' ' HG3' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -116.37 155.46 28.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.056 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.448 ' C ' HG23 ' A' ' 28' ' ' THR . 0.6 OUTLIER -148.3 138.89 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.338 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 76.2 m -104.74 150.56 24.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.4 mt -117.28 170.95 8.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -156.63 34.35 0.58 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.452 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 47.0 m -151.38 135.52 9.68 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.642 0.848 . . . . 0.0 110.377 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.6 Cg_endo -74.94 151.43 39.85 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.426 1.751 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.63 -179.77 18.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.8 t -109.08 126.91 53.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.609 0.829 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.907 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.7 m-85 -106.92 131.05 54.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.9 t -110.8 163.44 13.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.576 ' CZ ' ' N ' ' A' ' 93' ' ' THR . 5.5 p90 -171.51 175.83 3.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.572 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 9.1 p90 -154.59 -173.18 4.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.526 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 9.9 t -133.47 96.13 3.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.462 1.101 . . . . 0.0 108.236 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.518 ' C ' ' O ' ' A' ' 82' ' ' CYS . 0.8 OUTLIER -28.99 -57.48 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.408 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.614 ' C ' ' CG ' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -74.93 131.98 15.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.068 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.614 ' CG ' ' C ' ' A' ' 84' ' ' PRO . 0.1 OUTLIER 80.3 -4.02 1.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.623 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 87' ' ' GLY . 17.7 ptt180 -41.31 -46.06 3.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.59 1.181 . . . . 0.0 110.313 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.428 ' N ' ' HG3' ' A' ' 86' ' ' ARG . . . -65.05 -36.81 93.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -63.15 -13.5 37.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.96 85.93 1.41 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.511 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 3.9 ttt -138.42 84.86 2.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 0.752 . . . . 0.0 111.092 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.5 m -120.74 159.82 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.233 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.475 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -156.24 172.6 34.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.614 1.196 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.576 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 2.5 m -153.72 163.47 39.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 0.734 . . . . 0.0 110.448 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.053 ' CD1' HG11 ' A' ' 29' ' ' VAL . 69.4 mt -148.63 129.44 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' ILE . 87.3 m -111.7 146.44 37.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 96' ' ' VAL . 20.3 t -125.0 73.04 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.587 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 1.1 mm-40 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.873 HG21 HD21 ' A' ' 21' ' ' LEU . 26.3 m -109.7 177.59 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.27 157.97 43.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.47 ' HA ' HD13 ' A' ' 5' ' ' ILE . 4.1 mm -120.79 116.94 51.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.581 ' HG2' HG13 ' A' ' 32' ' ' VAL . 2.4 mtmp? -96.17 139.12 32.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.566 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 18.6 mtm -112.85 111.69 22.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.38 142.33 13.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.879 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 1.4 p -101.78 156.12 17.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 110.338 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -54.52 -19.7 6.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -89.4 40.49 0.99 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.407 ' C ' HG21 ' A' ' 36' ' ' VAL . 81.3 m-85 39.21 29.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.879 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -100.06 120.73 56.06 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.471 ' CD ' HG11 ' A' ' 36' ' ' VAL . 18.1 Cg_endo -75.16 103.19 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.728 HD11 ' CG2' ' A' ' 9' ' ' THR . 2.2 pp -163.21 149.46 12.1 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.444 1.09 . . . . 0.0 109.204 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.566 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 19.2 m-85 -79.71 131.69 36.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -125.24 126.02 25.18 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 176.09 44.9 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.076 -0.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -37.45 86.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.52 156.97 44.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.873 HD21 HG21 ' A' ' 3' ' ' VAL . 13.1 tp -146.9 147.17 30.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.627 ' H ' HD12 ' A' ' 21' ' ' LEU . 8.3 t -131.2 144.03 51.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.07 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.594 HD13 HG23 ' A' ' 29' ' ' VAL . 23.8 pt -153.79 -174.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.411 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 14.7 m -121.03 162.62 19.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.02 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.41 105.94 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.362 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.98 -8.31 8.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.402 ' HB2' HD12 ' A' ' 23' ' ' ILE . 5.0 m-20 -81.47 172.11 13.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 m -121.02 156.54 31.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.469 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.787 HG11 HD13 ' A' ' 94' ' ' ILE . 77.4 t -136.79 110.99 9.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 5' ' ' ILE . 21.6 tt0 -85.5 167.42 15.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.495 ' CE1' HG12 ' A' ' 29' ' ' VAL . 43.4 m-85 -143.39 118.01 9.8 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.86 HG23 ' HA ' ' A' ' 66' ' ' SER . 5.2 p -122.79 148.3 26.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.416 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 5.5 mtp -98.53 118.73 35.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.46 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.5 m120 -78.61 -65.77 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.28 -168.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.525 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 4.4 t 64.17 22.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.474 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -80.68 -171.39 44.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.552 1.157 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.06 166.34 83.52 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.968 0.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.525 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 58.8 m-70 -130.26 -147.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.56 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 172.52 -175.05 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 t -130.46 96.46 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.56 HG22 ' CE1' ' A' ' 81' ' ' TYR . 1.4 mm -121.07 90.49 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -54.14 161.06 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -97.51 -51.96 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 109.375 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.7 mttt 171.88 155.93 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.075 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.959 HG21 ' CD2' ' A' ' 78' ' ' TYR . 0.5 OUTLIER -134.44 163.67 49.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.853 ' HD2' HG22 ' A' ' 46' ' ' VAL . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.8 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.873 ' HB2' ' HB ' ' A' ' 46' ' ' VAL . . . -49.65 -51.49 59.12 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.762 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.01 50.74 2.61 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.582 1.833 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.46 -45.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.226 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.0 mt -66.61 -28.5 68.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.7 m -43.15 146.96 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -138.75 110.34 7.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.3 t -90.23 35.06 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.09 64.3 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -48.66 116.7 1.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.235 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.42 115.2 23.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.468 ' CB ' ' HB3' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -76.95 -41.11 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -44.72 109.01 0.81 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 130.07 12.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.23 38.96 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.86 ' HA ' HG23 ' A' ' 32' ' ' VAL . 34.1 t 61.31 94.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 0.801 . . . . 0.0 109.982 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.416 ' CD2' ' HG3' ' A' ' 33' ' ' MET . 0.4 OUTLIER -37.54 -79.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.1 p90 179.71 177.9 0.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 111.036 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.9 ' O ' HG13 ' A' ' 70' ' ' VAL . 12.6 t -126.87 179.81 5.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.9 HG13 ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -171.93 139.13 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.27 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 79.6 m -95.76 152.01 18.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.0 mt -120.1 170.98 8.8 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -158.65 37.95 0.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.153 . . . . 0.0 111.001 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.445 ' O ' HG11 ' A' ' 96' ' ' VAL . 16.1 m -149.14 135.9 10.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.749 . . . . 0.0 110.383 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -74.99 147.21 33.64 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.393 1.733 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.66 -178.95 19.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.418 ' CG2' HG22 ' A' ' 93' ' ' THR . 39.2 m -113.43 116.25 29.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 110.439 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.959 ' CD2' HG21 ' A' ' 46' ' ' VAL . 63.7 m-85 -90.06 127.67 36.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.23 139.7 49.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -143.04 173.23 11.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CD1' ' HD2' ' A' ' 86' ' ' ARG . 6.1 p90 -159.71 166.33 30.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.77 149.28 27.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.262 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.473 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -78.91 -53.08 1.18 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.48 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.0 Cg_endo -75.11 -39.72 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.461 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 48.9 m80 -93.57 35.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.624 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -72.24 -11.22 60.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -112.18 -28.19 3.67 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.461 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . . . -62.96 -27.8 69.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.94 58.66 0.87 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.544 1.152 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 14' ' ' PRO . 4.7 mtp -115.55 86.14 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.482 HG12 ' HB3' ' A' ' 81' ' ' TYR . 30.4 m -120.67 161.81 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.568 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -149.51 153.47 25.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.418 HG22 ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -126.99 154.18 44.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.358 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.787 HD13 HG11 ' A' ' 29' ' ' VAL . 78.8 mt -149.09 126.17 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 23' ' ' ILE . 90.2 m -105.93 144.66 32.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.351 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.735 HG12 ' O ' ' A' ' 96' ' ' VAL . 6.0 t -127.32 72.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.245 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.961 HG21 HD11 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -115.27 174.1 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -146.29 145.31 30.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.507 ' HA ' HD13 ' A' ' 5' ' ' ILE . 3.3 mm -105.5 110.31 30.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.348 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.656 ' HG2' HG13 ' A' ' 32' ' ' VAL . 2.1 mtmt -85.75 141.17 29.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.411 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 1.8 mpp? -115.99 104.87 12.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 111.03 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 104.48 135.33 8.4 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.796 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 5.0 p -92.11 159.21 15.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 0.803 . . . . 0.0 110.458 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -62.84 -12.93 27.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -90.98 31.17 1.11 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 47.6 34.57 3.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.092 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.796 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -110.18 124.95 32.06 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 105.8 2.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.422 1.748 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.27 170.11 21.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 7' ' ' MET . 9.2 m-85 -100.72 125.6 47.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -122.56 125.72 26.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.232 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 174.35 53.12 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.983 -0.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -63.86 -37.49 87.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.15 151.38 51.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.961 HD11 HG21 ' A' ' 3' ' ' VAL . 13.1 tp -139.45 139.43 37.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.424 1.077 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.529 ' H ' HD12 ' A' ' 21' ' ' LEU . 14.1 t -128.79 141.84 51.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.662 HD12 ' HB2' ' A' ' 27' ' ' ASP . 13.3 pt -152.22 -175.71 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.8 m -120.27 159.81 24.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.55 105.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.44 -8.02 8.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.662 ' HB2' HD12 ' A' ' 23' ' ' ILE . 6.3 m-20 -82.24 173.08 12.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 0.791 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.6 m -122.61 153.91 38.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 110.352 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.549 HG23 HD13 ' A' ' 23' ' ' ILE . 89.8 t -134.3 105.52 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -80.21 170.08 16.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -144.74 114.12 7.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.656 HG13 ' HG2' ' A' ' 6' ' ' LYS . 9.4 p -118.02 146.2 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.082 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.1 ttp -97.31 119.51 35.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.5 m120 -78.57 -66.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.457 ' HG2' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -175.92 -168.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.518 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 3.8 t 65.42 21.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.511 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -75.18 -176.08 37.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.749 ' HB3' HD13 ' A' ' 62' ' ' ILE . 18.4 Cg_endo -74.88 171.68 66.75 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.066 -2.472 . . . . 0.0 111.03 -0.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.548 ' O ' HD23 ' A' ' 60' ' ' LEU . 75.2 m-70 -136.66 -150.22 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.582 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.466 ' ND2' HD12 ' A' ' 42' ' ' ILE . 9.6 p-10 -178.73 178.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.748 ' O ' HG12 ' A' ' 41' ' ' VAL . 50.2 t -131.14 54.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.712 HD12 ' OG1' ' A' ' 83' ' ' THR . 61.2 mt -82.52 93.87 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.539 ' CE2' HG12 ' A' ' 41' ' ' VAL . 91.3 m-85 -61.98 147.62 46.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.4 t70 -74.58 -55.67 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 52' ' ' ALA . 5.1 mttt 166.6 148.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.937 HG13 ' HB2' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -121.25 173.06 4.21 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.432 ' O ' HG23 ' A' ' 46' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.538 1.81 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.513 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.937 ' HB2' HG13 ' A' ' 46' ' ' VAL . . . -48.41 -49.94 60.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.07 51.03 2.7 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.398 1.736 . . . . 0.0 110.94 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.513 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -157.22 -45.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.2 -34.81 71.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.52 1.138 . . . . 0.0 109.254 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.63 136.96 38.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 57' ' ' ASN . 23.6 p-10 -138.21 104.9 5.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.591 ' HA ' HD11 ' A' ' 42' ' ' ILE . 9.0 t -66.18 -18.42 65.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.383 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.6 tttt -53.21 91.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 39' ' ' HIS . 4.9 mt -57.9 108.9 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 109.232 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.82 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -70.76 100.58 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.749 HD13 ' HB3' ' A' ' 38' ' ' PRO . 18.4 mm -74.93 -53.34 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.81 111.45 4.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.22 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 163.66 34.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.22 -62.99 0.45 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.422 1.076 . . . . 0.0 111.032 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.05 101.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 0.747 . . . . 0.0 109.948 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.82 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 1.8 m-85 -38.23 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.1 p90 173.23 173.38 0.13 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.499 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -116.94 157.04 26.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 110.001 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 69' ' ' SER . 2.6 m -153.89 138.45 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.437 ' C ' HD22 ' A' ' 72' ' ' LEU . 1.9 m -94.37 127.3 40.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.422 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.484 ' N ' ' CD2' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -101.65 171.94 7.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.547 ' O ' HG11 ' A' ' 96' ' ' VAL . . . -151.8 -64.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.1 m -39.14 129.0 1.27 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.0 Cg_endo -75.08 141.49 26.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.454 1.765 . . . . 0.0 111.001 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.58 -178.27 23.44 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.3 m -110.42 111.77 23.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.439 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.649 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.0 m-85 -83.97 136.63 33.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.84 139.38 53.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.941 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.627 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -140.39 169.51 17.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.826 ' HB3' HG12 ' A' ' 91' ' ' VAL . 7.8 p90 -158.76 161.15 36.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -81.09 151.06 28.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 108.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.712 ' OG1' HD12 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -79.79 -54.08 0.94 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.02 -40.66 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.581 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 49.0 m80 -92.04 35.01 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.458 ' HD2' ' CE1' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -68.55 -19.32 64.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -104.68 -26.74 6.31 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.581 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . . . -63.47 -22.89 67.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 0.729 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.17 54.39 1.87 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.4 mtp -109.03 81.47 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.58 0.812 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.826 HG12 ' HB3' ' A' ' 81' ' ' TYR . 27.3 m -130.06 146.78 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.551 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -128.54 -168.29 12.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.108 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.577 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -155.32 146.05 22.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.409 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.715 HG12 HD23 ' A' ' 21' ' ' LEU . 18.1 mt -139.31 123.5 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 23' ' ' ILE . 25.4 m -104.63 142.64 34.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.419 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 96' ' ' VAL . 3.3 t -127.72 76.5 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.363 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.863 HG21 HD11 ' A' ' 21' ' ' LEU . 12.4 m -116.42 177.28 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -146.53 159.39 43.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.473 ' HA ' HD13 ' A' ' 5' ' ' ILE . 8.7 mm -122.49 117.49 52.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.546 ' HG2' HG13 ' A' ' 32' ' ' VAL . 5.1 mttt -97.72 135.65 39.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.571 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 10.6 mtm -108.96 99.79 9.07 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.56 1.162 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.51 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 109.72 140.54 8.81 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.776 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 2.1 p -101.73 160.72 14.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.359 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.62 -18.09 10.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' ALA . 5.4 mtmt -89.86 39.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 37.99 29.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.776 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -99.72 119.28 60.26 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.473 ' HG3' HG21 ' A' ' 36' ' ' VAL . 18.3 Cg_endo -75.0 95.97 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.617 1.851 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.713 HD11 ' CG2' ' A' ' 9' ' ' THR . 3.0 pp -153.72 150.31 28.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.571 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 7.4 m-85 -79.99 128.72 33.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.545 ' OE1' HG22 ' A' ' 9' ' ' THR . 22.4 tt0 -127.28 128.75 24.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.98 161.42 94.88 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.044 -0.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -53.06 -39.32 63.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.81 153.46 48.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.863 HD11 HG21 ' A' ' 3' ' ' VAL . 9.0 tp -144.17 142.98 30.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.862 ' HA ' HG22 ' A' ' 95' ' ' THR . 20.4 t -130.41 140.71 50.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.573 HG13 HG22 ' A' ' 96' ' ' VAL . 14.1 pt -148.07 -174.53 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.997 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 7.3 m -123.87 169.86 11.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.58 105.39 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.351 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.0 -7.63 9.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.436 1.085 . . . . 0.0 111.069 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.42 ' HB2' HD12 ' A' ' 23' ' ' ILE . 5.1 m-20 -83.07 171.65 13.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 0.786 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.495 HG23 ' C ' ' A' ' 70' ' ' VAL . 27.0 m -127.0 157.55 39.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.72 HG11 HD13 ' A' ' 94' ' ' ILE . 45.3 t -135.13 113.52 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.8 OUTLIER -83.89 167.03 17.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -141.92 128.6 20.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.752 HG23 ' HA ' ' A' ' 66' ' ' SER . 4.3 p -136.8 148.92 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.37 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -98.96 123.93 43.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.4 m120 -81.09 -63.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.523 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -175.1 -163.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.358 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.606 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 11.3 p 47.08 52.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.462 ' HA2' ' NE2' ' A' ' 39' ' ' HIS . . . -108.91 -160.89 19.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.522 1.138 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.483 ' CB ' HD13 ' A' ' 62' ' ' ILE . 18.4 Cg_endo -74.94 179.27 31.17 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.064 -2.473 . . . . 0.0 111.065 -0.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.606 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 19.2 m-70 -136.33 -154.04 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.626 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.434 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 1.1 p30 167.59 163.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.152 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 56' ' ' SER . 99.1 t -103.8 99.88 9.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.759 HD11 ' HA ' ' A' ' 58' ' ' THR . 8.7 mm -116.03 68.59 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 50.1 m-85 -36.87 155.83 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -94.85 -50.55 5.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 mttt 169.97 144.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 1.061 HG22 ' HB2' ' A' ' 52' ' ' ALA . 12.2 m -129.16 157.76 75.01 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 111.062 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.528 ' CB ' ' HB3' ' A' ' 54' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 1.061 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -76.13 -52.3 2.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.793 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -75.03 0.41 8.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.044 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.528 ' HB3' ' CB ' ' A' ' 51' ' ' SER . . . -107.22 -42.06 4.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.49 ' HB3' ' CE2' ' A' ' 43' ' ' PHE . 6.2 mt -59.68 -36.16 75.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 0.3 OUTLIER -49.03 103.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.031 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.85 91.07 7.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.759 ' HA ' HD11 ' A' ' 42' ' ' ILE . 41.2 p -53.53 -19.57 3.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.175 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -55.55 88.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 58' ' ' THR . 0.2 OUTLIER -68.08 142.82 55.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.426 ' HB2' ' CE1' ' A' ' 67' ' ' PHE . . . -99.67 113.26 25.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.559 HD11 HD12 ' A' ' 60' ' ' LEU . 5.2 mm -83.07 -49.63 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.364 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.67 142.97 28.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 133.25 16.31 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 66' ' ' SER . . . 176.1 37.75 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.752 ' HA ' HG23 ' A' ' 32' ' ' VAL . 0.3 OUTLIER 53.44 103.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.595 0.821 . . . . 0.0 110.008 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -37.57 -77.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -178.62 175.98 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 111.049 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.76 153.05 29.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.495 ' C ' HG23 ' A' ' 28' ' ' THR . 2.6 m -147.59 143.16 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.399 1.062 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.2 m -107.83 146.28 32.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.4 mt -120.96 172.9 7.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . -151.04 -64.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.446 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 23.4 m -51.18 135.51 30.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.439 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 74' ' ' THR . 18.5 Cg_endo -74.96 145.84 32.1 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.458 1.767 . . . . 0.0 110.971 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 95' ' ' THR . . . 147.99 179.85 24.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.1 m -113.61 115.33 27.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.76 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.958 ' CD2' HG11 ' A' ' 46' ' ' VAL . 7.4 m-85 -89.13 135.87 33.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.17 136.32 54.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.637 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -135.91 172.51 12.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.946 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.647 ' HB3' HG12 ' A' ' 91' ' ' VAL . 7.2 p90 -156.79 160.32 39.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.37 141.29 32.94 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.544 1.153 . . . . 0.0 108.328 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.577 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.6 OUTLIER -79.28 -47.12 1.61 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.04 -46.65 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.838 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 62.5 m80 -87.66 13.37 10.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.643 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 2.4 ttt180 -45.56 -25.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.59 1.181 . . . . 0.0 110.26 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.64 -27.47 9.05 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.838 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . . . -62.96 -23.81 67.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.2 53.59 2.15 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.484 1.115 . . . . 0.0 111.102 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 14' ' ' PRO . 12.3 mtp -110.66 104.68 13.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.647 HG12 ' HB3' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -140.8 155.7 22.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.38 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.57 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -142.35 170.28 25.11 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.41 ' C ' HG13 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -134.1 150.72 51.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 110.406 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.72 HD13 HG11 ' A' ' 29' ' ' VAL . 80.5 mt -149.68 111.37 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.862 HG22 ' HA ' ' A' ' 22' ' ' SER . 15.2 t -100.07 155.61 17.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.575 1.172 . . . . 0.0 110.478 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.76 HG12 ' O ' ' A' ' 96' ' ' VAL . 5.4 t -129.95 72.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.997 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.776 HG21 HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -110.35 177.56 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.244 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -140.17 161.12 38.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.615 HD11 HD22 ' A' ' 21' ' ' LEU . 7.2 mm -123.09 119.19 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.566 1.166 . . . . 0.0 109.226 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.494 ' HG2' HG13 ' A' ' 32' ' ' VAL . 2.5 mtmt -95.27 129.01 42.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.515 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 3.3 mpp? -104.68 99.79 9.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 109.56 139.53 8.5 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.443 1.089 . . . . 0.0 110.949 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.856 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 8.6 p -99.89 159.75 14.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.435 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.13 -18.34 9.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.223 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -89.52 39.24 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 38.79 29.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.856 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -98.73 119.85 60.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.455 ' HG3' HG21 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -74.91 98.08 1.12 Allowed 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.437 1.757 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.755 HD11 ' CG2' ' A' ' 9' ' ' THR . 2.2 pp -157.13 150.87 24.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.515 ' CE1' ' HG3' ' A' ' 7' ' ' MET . 11.1 m-85 -80.3 129.32 34.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 22.7 tt0 -128.27 125.32 23.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.416 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.02 -178.09 22.45 Favored 'Cis proline' 0 C--N 1.361 1.217 0 C-N-CA 121.016 -2.493 . . . . 0.0 110.999 -0.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -36.7 70.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.47 160.81 40.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.802 ' CD2' HG23 ' A' ' 94' ' ' ILE . 1.9 pt? -156.45 152.64 27.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.9 t -121.77 148.09 45.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.994 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.691 HD12 ' HB2' ' A' ' 27' ' ' ASP . 5.2 pt -146.04 172.17 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.409 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -108.65 148.92 29.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 110.062 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.02 105.88 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.45 -8.69 9.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.621 1.2 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.691 ' HB2' HD12 ' A' ' 23' ' ' ILE . 13.1 m-20 -77.42 177.86 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.8 m -130.38 156.78 44.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.648 HG12 ' CE1' ' A' ' 31' ' ' PHE . 89.6 t -128.29 109.54 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.279 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -87.32 167.24 14.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.648 ' CE1' HG12 ' A' ' 29' ' ' VAL . 42.5 m-85 -147.05 121.48 9.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.494 HG13 ' HG2' ' A' ' 6' ' ' LYS . 9.3 p -122.43 152.01 26.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.433 ' CE ' ' HA ' ' A' ' 35' ' ' LYS . 1.7 ttp -100.01 123.93 44.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.4 m120 -83.72 -64.44 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.555 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -171.53 -165.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.614 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 13.0 p 47.63 49.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.468 ' HA2' ' NE2' ' A' ' 39' ' ' HIS . . . -107.31 -164.77 21.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.462 1.101 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HA ' ' HA3' ' A' ' 37' ' ' GLY . 18.3 Cg_endo -74.99 -176.34 17.87 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.953 -2.52 . . . . 0.0 111.055 -0.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.614 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 26.4 m-70 -139.6 -150.32 0.32 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.537 1.148 . . . . 0.0 109.597 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.6 OUTLIER 167.36 160.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 56' ' ' SER . 16.9 t -99.9 99.72 9.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.558 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 2.5 mm -111.75 68.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' ILE . 17.9 m-85 -36.53 155.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -99.7 -58.59 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 176.18 148.8 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.965 HG12 ' HB2' ' A' ' 52' ' ' ALA . 11.9 p -141.19 140.96 21.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.104 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.822 ' HB2' ' HB3' ' A' ' 54' ' ' ALA . 19.7 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.965 ' HB2' HG12 ' A' ' 46' ' ' VAL . . . -76.46 -49.95 2.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.708 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.07 0.8 8.49 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.545 1.813 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.822 ' HB3' ' HB2' ' A' ' 51' ' ' SER . . . -107.46 -22.16 12.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.32 -33.24 37.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 0.3 OUTLIER -49.19 121.41 4.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.05 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.52 118.14 32.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.6 t -88.58 40.52 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -100.84 70.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.524 ' O ' HD12 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -41.97 104.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.831 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -85.62 99.0 10.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 62' ' ' ILE . 2.8 mp -74.21 -53.83 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.5 113.18 3.04 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.38 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.08 13.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.519 1.799 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 66' ' ' SER . . . 172.29 -55.11 0.17 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.554 1.159 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.459 ' HA ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER 163.65 101.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.983 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.831 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 6.0 m-85 -37.79 -86.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -168.07 174.7 7.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.82 157.13 24.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.2 137.31 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.375 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.8 m -102.81 151.09 22.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.432 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.789 HD22 ' CE2' ' A' ' 78' ' ' TYR . 12.1 mt -123.04 173.53 7.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -147.74 -44.92 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.448 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 4.8 m -74.28 138.53 75.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 110.376 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 74' ' ' THR . 18.1 Cg_endo -75.08 153.62 41.52 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.458 1.767 . . . . 0.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.15 -178.68 19.33 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 94' ' ' ILE . 54.1 m -108.51 123.13 48.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.57 0.806 . . . . 0.0 110.415 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.789 ' CE2' HD22 ' A' ' 72' ' ' LEU . 6.8 m-85 -101.58 130.54 47.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.591 1.182 . . . . 0.0 111.056 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.0 t -119.43 162.85 18.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 109.971 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.584 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 2.2 p90 -157.39 179.43 9.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.723 ' HB3' HG12 ' A' ' 91' ' ' VAL . 12.7 p90 -160.39 166.99 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.37 143.78 26.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 108.282 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.553 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -79.72 -48.57 1.4 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.407 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.4 Cg_endo -74.97 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.45 1.763 . . . . 0.0 111.032 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.844 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 65.7 m80 -86.4 11.14 13.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.657 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.568 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 4.2 ttt180 -44.82 -25.88 0.34 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.095 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -99.01 -27.15 8.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.416 1.072 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.844 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . . . -62.7 -24.35 67.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.01 54.3 1.77 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.537 1.148 . . . . 0.0 111.054 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.425 ' CG ' ' O ' ' A' ' 14' ' ' PRO . 10.4 mtp -112.01 98.2 7.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.723 HG12 ' HB3' ' A' ' 81' ' ' TYR . 4.1 m -140.31 151.42 21.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.584 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -136.0 -171.38 12.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.509 ' O ' HD23 ' A' ' 21' ' ' LEU . 3.6 m -154.72 165.28 37.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.757 . . . . 0.0 110.304 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.802 HG23 ' CD2' ' A' ' 21' ' ' LEU . 1.1 mt -151.08 165.45 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' ILE . 23.3 m -143.43 138.83 29.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 96' ' ' VAL . 9.6 t -125.37 81.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.409 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.0 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.833 HG21 HD11 ' A' ' 21' ' ' LEU . 23.2 m -116.19 176.63 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -141.73 153.46 44.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.776 HD13 ' HD2' ' A' ' 18' ' ' PRO . 10.7 mm -124.89 113.04 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.682 ' HG2' HG13 ' A' ' 32' ' ' VAL . 6.9 mttp -89.17 133.48 34.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 mtm -100.79 106.12 17.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.52 156.84 20.04 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.561 1.163 . . . . 0.0 111.078 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.678 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -120.02 158.83 25.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.779 . . . . 0.0 110.399 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -62.25 -14.16 35.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -90.35 40.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.231 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER 37.34 40.57 0.21 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.678 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -114.15 112.59 46.84 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.608 ' HG3' HG11 ' A' ' 36' ' ' VAL . 18.2 Cg_endo -75.02 77.75 3.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 pp -137.59 158.12 45.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.417 ' N ' ' HG3' ' A' ' 90' ' ' MET . 5.6 m-85 -77.59 142.21 39.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 32.2 tt0 -148.45 125.81 5.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.776 ' HD2' HD13 ' A' ' 5' ' ' ILE . 18.4 Cg_endo -75.03 166.97 81.85 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.076 -2.468 . . . . 0.0 111.008 0.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -39.06 79.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.52 146.95 45.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.874 HD23 HG12 ' A' ' 94' ' ' ILE . 13.3 tp -145.78 144.55 30.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.51 ' H ' HD12 ' A' ' 21' ' ' LEU . 7.3 t -130.56 145.41 51.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.026 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.591 HG13 HG22 ' A' ' 96' ' ' VAL . 13.4 pt -154.43 -175.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.611 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 7.4 m -122.83 170.44 10.09 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.488 1.118 . . . . 0.0 109.926 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.42 105.57 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.31 -7.92 8.5 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.562 ' HB2' HD12 ' A' ' 23' ' ' ILE . 5.3 m-20 -80.8 173.54 12.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 m -126.6 154.3 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.373 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.96 HG11 HD13 ' A' ' 94' ' ' ILE . 73.1 t -130.21 100.72 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.6 OUTLIER -80.51 164.05 23.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.54 ' CE1' HG12 ' A' ' 29' ' ' VAL . 74.9 m-85 -143.58 123.42 13.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.682 HG13 ' HG2' ' A' ' 6' ' ' LYS . 7.5 p -130.09 148.62 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.473 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 6.8 mtp -92.02 118.84 31.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.466 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.5 m120 -78.74 -65.8 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.44 -170.37 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.608 HG11 ' HG3' ' A' ' 14' ' ' PRO . 1.8 t 48.69 58.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.473 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -114.16 -164.71 15.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.079 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.417 ' HA ' ' HA3' ' A' ' 37' ' ' GLY . 18.3 Cg_endo -74.97 -178.57 23.83 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.035 0.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.572 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 8.8 m-70 -134.86 -165.44 1.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.628 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 3.0 p30 -172.49 166.54 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.734 ' O ' HD13 ' A' ' 42' ' ' ILE . 99.7 t -109.09 113.82 45.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.734 HD13 ' O ' ' A' ' 41' ' ' VAL . 7.1 mm -136.85 74.08 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.413 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 78.5 m-85 -48.42 162.93 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -92.33 -65.71 0.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.671 ' HA ' ' HB1' ' A' ' 52' ' ' ALA . 3.0 mtmt -171.05 155.06 4.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.84 HG11 ' CZ ' ' A' ' 78' ' ' TYR . 71.4 t -134.45 143.57 47.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.717 ' HD2' HG13 ' A' ' 46' ' ' VAL . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.203 0 O-C-N 124.445 1.761 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.846 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . . . -63.11 -54.12 48.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.846 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.97 50.75 2.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.464 1.771 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.55 -45.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.04 -26.11 65.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.19 126.23 29.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.975 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' VAL . 28.6 t-20 -118.81 111.7 18.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.391 1.057 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.692 ' HA ' HD11 ' A' ' 42' ' ' ILE . 8.9 t -86.87 44.32 1.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -113.87 76.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.216 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.53 123.95 8.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.703 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -114.3 121.78 44.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 63' ' ' ALA . 9.5 tp -83.43 -46.11 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -39.32 99.74 0.2 Allowed Pre-proline 0 C--N 1.323 -0.563 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.05 135.3 18.81 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.577 1.83 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.57 -57.69 0.22 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.679 ' HA ' HG23 ' A' ' 32' ' ' VAL . 6.2 t 168.45 98.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.703 ' CE1' ' HB3' ' A' ' 61' ' ' ALA . 2.0 m-85 -37.45 -84.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.463 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 16.2 p90 -170.74 174.48 4.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.77 154.92 35.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.949 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.0 m -143.57 136.51 24.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.5 m -98.06 122.73 41.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 110.448 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.601 HD12 ' CE2' ' A' ' 78' ' ' TYR . 0.9 OUTLIER -98.66 172.78 7.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.229 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.582 ' O ' HG11 ' A' ' 96' ' ' VAL . . . -150.46 -66.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.3 m -38.66 128.76 1.14 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.489 0.758 . . . . 0.0 110.404 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.1 Cg_endo -75.03 141.37 26.48 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.5 -179.69 21.55 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.1 m -103.52 126.45 50.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 110.453 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.84 ' CZ ' HG11 ' A' ' 46' ' ' VAL . 5.6 m-85 -101.42 140.16 36.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 111.058 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 p -119.13 148.15 43.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.598 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 8.3 p90 -157.54 179.92 8.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.564 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 16.7 p90 -161.65 178.07 9.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.955 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.534 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 10.3 t -125.63 97.02 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 108.241 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.531 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -28.85 -57.92 0.25 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.454 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.584 ' C ' ' CG ' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -74.96 127.68 10.9 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.58 1.832 . . . . 0.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.584 ' CG ' ' C ' ' A' ' 84' ' ' PRO . 0.7 OUTLIER 84.09 -0.39 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.622 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.5 ptt85 -42.48 -41.59 3.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.99 -33.47 59.64 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -63.55 -13.47 41.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.18 79.39 1.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.536 1.148 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' A' ' 14' ' ' PRO . 3.5 ttt -133.04 79.12 1.82 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 0.772 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.11 148.07 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.598 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -148.69 159.5 28.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.646 1.216 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.407 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 1.4 m -134.78 160.01 39.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.745 . . . . 0.0 110.428 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.96 HD13 HG11 ' A' ' 29' ' ' VAL . 94.8 mt -144.87 131.51 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' ILE . 92.5 m -113.62 146.75 39.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.748 HG12 ' O ' ' A' ' 96' ' ' VAL . 2.9 t -127.26 78.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.202 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.611 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 1.3 tm-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.922 HG21 HD11 ' A' ' 21' ' ' LEU . 17.6 m -112.41 175.41 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.624 1.202 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -144.55 159.68 42.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 30' ' ' GLU . 6.0 mm -124.67 118.98 54.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.551 ' HG2' HG13 ' A' ' 32' ' ' VAL . 7.6 mttt -96.45 140.0 31.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.453 ' HE1' ' CD2' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -113.09 97.77 6.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.21 151.43 8.56 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.934 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 1.8 p -118.99 154.98 32.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.444 0.732 . . . . 0.0 110.351 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.62 -17.63 15.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.1 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.96 41.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 38.25 34.82 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.934 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -106.35 110.42 63.87 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.428 ' C ' ' SD ' ' A' ' 90' ' ' MET . 18.2 Cg_endo -75.06 78.21 2.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.438 1.757 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.418 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.3 pp -135.41 161.37 35.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.065 . . . . 0.0 109.328 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.462 ' CD2' ' HG2' ' A' ' 90' ' ' MET . 5.7 m-85 -79.18 143.06 35.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 12.0 tt0 -146.06 126.57 7.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.43 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.0 164.89 87.36 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.961 -2.516 . . . . 0.0 111.013 -0.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -39.1 86.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.46 149.73 44.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.922 HD11 HG21 ' A' ' 3' ' ' VAL . 11.2 tp -140.68 140.73 34.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.665 ' H ' HD12 ' A' ' 21' ' ' LEU . 9.5 t -129.7 143.0 50.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.585 HD12 ' HB2' ' A' ' 27' ' ' ASP . 16.1 pt -154.88 -176.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 m -121.42 165.47 15.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.07 104.13 0.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.74 -6.81 7.88 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.585 ' HB2' HD12 ' A' ' 23' ' ' ILE . 8.3 m-20 -83.22 173.04 11.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 m -123.71 153.81 40.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.544 HG13 ' CD2' ' A' ' 21' ' ' LEU . 79.0 t -132.9 103.1 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.214 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -80.81 168.76 18.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 110.285 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -145.22 121.66 11.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.681 HG23 ' HA ' ' A' ' 66' ' ' SER . 4.5 p -127.98 144.46 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.409 ' SD ' ' CE2' ' A' ' 67' ' ' PHE . 7.1 mtp -91.05 105.88 18.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -55.01 -69.73 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.573 1.171 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.594 ' O ' HG12 ' A' ' 36' ' ' VAL . 1.9 pttt -169.49 -163.46 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 35' ' ' LYS . 12.1 p 47.68 41.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.572 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -86.92 -168.9 45.38 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.5 1.125 . . . . 0.0 111.046 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.525 ' CG ' HD13 ' A' ' 60' ' ' LEU . 18.6 Cg_endo -74.98 -179.42 26.58 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.006 -0.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.572 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 63.7 m-70 -133.47 -170.32 2.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 109.614 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.495 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.3 t-20 -145.36 -161.36 1.29 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.698 ' O ' HG12 ' A' ' 41' ' ' VAL . 57.2 t -155.98 55.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.368 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.425 HD11 ' ND2' ' A' ' 40' ' ' ASN . 12.2 mm -91.53 124.93 44.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.485 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 83.0 m-85 -88.68 172.22 9.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -97.86 -59.33 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.81 143.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.997 ' CG1' ' HB2' ' A' ' 52' ' ' ALA . 4.0 m -122.33 158.99 54.28 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.4 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.997 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . . . -59.09 -52.69 72.94 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.783 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.6 Cg_endo -74.9 50.89 2.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 111.044 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -160.3 -44.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.6 mt -68.18 -23.53 64.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.32 112.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -93.93 105.19 17.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.3 t -89.91 45.11 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.365 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -134.27 73.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.525 HD13 ' CG ' ' A' ' 38' ' ' PRO . 2.6 pp -40.66 130.42 2.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.513 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -112.6 115.97 29.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.408 HG23 ' N ' ' A' ' 63' ' ' ALA . 8.8 tp -79.9 -48.76 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.408 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -42.87 102.19 0.27 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 130.84 13.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.566 1.824 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 66' ' ' SER . . . 174.53 -53.54 0.14 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.681 ' HA ' HG23 ' A' ' 32' ' ' VAL . 4.6 p 165.03 99.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 0.731 . . . . 0.0 110.07 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.513 ' CE1' ' HB3' ' A' ' 61' ' ' ALA . 0.8 OUTLIER -37.42 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.7 p90 178.75 174.77 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.41 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -121.63 156.22 33.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 110.022 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 69' ' ' SER . 7.7 m -151.95 136.82 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.4 m -91.37 142.72 27.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.428 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.864 HD13 ' CE2' ' A' ' 78' ' ' TYR . 67.8 mt -117.4 172.89 7.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -154.65 -52.29 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.563 1.164 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.98 124.4 6.68 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 140.61 25.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.46 -177.26 20.53 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.9 t -105.0 124.3 49.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 110.371 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.864 ' CE2' HD13 ' A' ' 72' ' ' LEU . 21.7 m-85 -98.08 141.6 30.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.3 m -119.26 149.2 42.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.003 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.582 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 18.5 p90 -163.22 -178.02 5.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -161.27 -175.98 5.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.542 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 7.3 t -128.03 95.61 4.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.535 ' C ' ' O ' ' A' ' 82' ' ' CYS . 0.8 OUTLIER -26.88 -57.96 0.2 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.42 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.579 ' O ' ' CG ' ' A' ' 85' ' ' HIS . 18.6 Cg_endo -75.0 126.03 9.71 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 84' ' ' PRO . 2.0 m80 87.78 -4.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.629 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.5 ptt85 -39.85 -40.77 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.339 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.67 -39.28 56.11 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.541 1.15 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -59.81 -17.25 34.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 0.802 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.06 84.53 1.66 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.462 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 5.0 ttt -137.13 82.77 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 0.768 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 30.7 m -120.84 147.28 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.582 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -147.69 155.79 26.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 78' ' ' TYR . 1.3 m -134.18 159.42 40.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 0.796 . . . . 0.0 110.374 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.794 HG12 HD23 ' A' ' 21' ' ' LEU . 58.6 mt -141.67 130.97 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' ILE . 87.2 m -113.22 145.31 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.372 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.746 HG12 ' O ' ' A' ' 96' ' ' VAL . 3.6 t -127.11 76.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.853 HG21 HD21 ' A' ' 21' ' ' LEU . 22.5 m -111.51 172.4 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.589 1.181 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.46 154.24 39.58 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' ' 5' ' ' ILE . 4.5 mm -120.06 117.9 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.616 ' HG2' HG13 ' A' ' 32' ' ' VAL . 7.1 mttt -91.88 154.49 18.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.574 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 3.4 mpp? -129.04 109.21 11.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.27 133.56 8.0 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.536 HG23 ' HG ' ' A' ' 15' ' ' LEU . 4.4 p -96.34 154.99 16.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.34 -7.56 32.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -90.24 25.23 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 53.45 48.79 21.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.5 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -136.06 123.53 14.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.415 ' O ' ' HG2' ' A' ' 90' ' ' MET . 18.4 Cg_endo -74.98 111.17 3.27 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.467 1.772 . . . . 0.0 110.977 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.536 ' HG ' HG23 ' A' ' 9' ' ' THR . 0.8 OUTLIER -170.22 151.4 3.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.574 ' CD1' ' HG3' ' A' ' 7' ' ' MET . 46.0 m-85 -80.9 138.4 36.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 17.3 tt0 -131.67 126.65 21.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.462 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.99 -176.78 18.78 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.003 -0.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -92.36 26.32 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 19' ' ' LYS . . . 175.63 137.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.853 HD21 HG21 ' A' ' 3' ' ' VAL . 14.0 tp -142.22 150.01 40.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.52 ' O ' HG23 ' A' ' 23' ' ' ILE . 8.1 t -133.08 146.68 51.89 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.512 1.133 . . . . 0.0 109.99 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.662 HD13 ' CG2' ' A' ' 29' ' ' VAL . 30.5 pt -156.14 -174.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.6 m -118.05 169.56 9.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.079 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -69.27 104.34 2.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.22 -6.62 8.71 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.453 ' HB2' HD12 ' A' ' 23' ' ' ILE . 9.5 m-20 -80.15 173.78 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 0.733 . . . . 0.0 109.311 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.0 m -121.89 154.94 36.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.411 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.741 HG11 HD13 ' A' ' 94' ' ' ILE . 85.6 t -135.9 107.7 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.39 168.05 15.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.412 ' CE2' HG21 ' A' ' 5' ' ' ILE . 46.3 m-85 -145.58 129.12 17.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.786 HG23 ' HA ' ' A' ' 66' ' ' SER . 9.9 p -131.55 136.71 56.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.516 ' HE3' ' HA3' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -91.19 100.97 13.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.483 ' OD1' ' CE ' ' A' ' 6' ' ' LYS . 2.0 m-20 -56.69 -73.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 1.009 ' HD3' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -169.99 -170.39 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 1.009 HG23 ' HD3' ' A' ' 35' ' ' LYS . 21.9 t 68.29 15.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.577 ' HA2' ' CE1' ' A' ' 39' ' ' HIS . . . -69.36 -165.9 4.64 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.586 ' CB ' HD13 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.97 161.41 94.89 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 121.023 -2.49 . . . . 0.0 111.015 0.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.577 ' CE1' ' HA2' ' A' ' 37' ' ' GLY . 66.5 m-70 -131.9 -164.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.067 . . . . 0.0 109.616 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.578 ' HA ' ' CE2' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -178.48 -174.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 56' ' ' SER . 61.5 t -127.71 82.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.7 mm -103.78 74.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -38.04 157.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.062 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 2.4 t0 -90.26 -48.12 7.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 7.8 mtmt 168.23 150.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.91 HG22 ' HB2' ' A' ' 52' ' ' ALA . 33.6 m -130.24 158.55 73.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.448 1.762 . . . . 0.0 110.961 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.476 ' OG ' ' HB3' ' A' ' 54' ' ' ALA . 76.7 p . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.91 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -51.13 -51.04 71.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.733 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.98 51.14 2.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.476 ' HB3' ' OG ' ' A' ' 51' ' ' SER . . . -159.31 -45.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.9 mt -69.59 -29.06 66.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 2.1 m -47.63 104.87 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.122 . . . . 0.0 109.996 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -91.96 105.99 18.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.1 t -86.78 42.23 1.0 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -113.01 63.0 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.682 ' O ' HD12 ' A' ' 60' ' ' LEU . 2.1 pp -39.52 116.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.667 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -96.76 100.18 11.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.434 HD13 ' HG3' ' A' ' 38' ' ' PRO . 7.8 tp -67.26 -45.37 86.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.228 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.58 117.71 59.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 130.88 13.69 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.495 1.787 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.28 39.71 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.786 ' HA ' HG23 ' A' ' 32' ' ' VAL . 1.3 t 65.69 96.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 0.734 . . . . 0.0 109.995 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.667 ' CE1' ' HB3' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -38.0 -76.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.3 p90 179.9 174.83 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.951 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.465 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -123.52 155.3 37.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.946 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 69' ' ' SER . 11.0 m -153.73 136.44 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.4 m -90.24 148.46 22.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.0 mt -129.38 172.45 11.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.44 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . -151.33 -44.48 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -51.2 124.76 23.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.558 0.799 . . . . 0.0 110.389 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -75.07 141.14 26.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.97 -179.22 21.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.409 ' O ' ' CG2' ' A' ' 77' ' ' THR . 3.6 t -107.54 117.81 35.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 110.395 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.89 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.7 m-85 -92.63 134.81 34.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.77 145.06 43.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.566 ' CE2' ' HA3' ' A' ' 92' ' ' GLY . 0.5 OUTLIER -147.88 172.48 14.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CD1' ' HD2' ' A' ' 86' ' ' ARG . 5.8 p90 -166.43 171.43 11.93 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.567 1.167 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.15 149.28 23.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.353 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.533 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -80.67 -49.76 1.1 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.374 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.07 -45.38 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.551 1.816 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.832 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 64.5 m80 -84.52 9.45 13.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.63 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -43.48 -26.72 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 85' ' ' HIS . . . -102.59 -25.45 7.69 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.832 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . . . -62.24 -23.87 66.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.767 . . . . 0.0 109.228 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.98 54.35 1.4 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.431 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 3.4 mtp -113.11 82.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 0.799 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.545 HG12 ' HB3' ' A' ' 81' ' ' TYR . 29.0 m -121.92 164.87 18.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.566 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -155.67 172.46 33.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.586 1.179 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.404 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -142.96 155.8 44.76 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 0.768 . . . . 0.0 110.384 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.741 HD13 HG11 ' A' ' 29' ' ' VAL . 72.0 mt -148.73 135.28 12.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 23' ' ' ILE . 46.6 m -113.98 142.89 45.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.737 HG12 ' O ' ' A' ' 96' ' ' VAL . 4.0 t -128.09 74.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.218 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' ILE . 4.3 mt-10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.825 HG21 HD11 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -122.17 176.72 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -147.39 161.43 41.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.507 ' HA ' HD13 ' A' ' 5' ' ' ILE . 4.1 mm -125.86 121.06 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.465 ' HG3' ' CG1' ' A' ' 32' ' ' VAL . 1.9 mtmt -93.43 141.76 28.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.406 ' SD ' ' CE1' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -117.4 100.84 7.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 107.76 140.89 9.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.718 ' CG2' HD11 ' A' ' 15' ' ' LEU . 1.6 p -103.25 163.97 11.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.586 0.815 . . . . 0.0 110.383 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -67.57 -8.81 37.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -91.2 32.12 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.43 ' C ' HG11 ' A' ' 36' ' ' VAL . 0.4 OUTLIER 44.44 26.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 111.049 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.91 125.57 31.32 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HB2' ' SD ' ' A' ' 90' ' ' MET . 18.4 Cg_endo -74.95 110.07 3.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.718 HD11 ' CG2' ' A' ' 9' ' ' THR . 1.3 pp -162.64 150.35 13.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.491 ' CE2' ' HE2' ' A' ' 90' ' ' MET . 31.1 m-85 -83.31 127.44 33.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 16.1 tt0 -124.33 126.23 25.54 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.401 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.0 -178.37 23.27 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.014 0.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 13.9 ptmt -92.33 24.52 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 19' ' ' LYS . . . 179.2 143.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.825 HD11 HG21 ' A' ' 3' ' ' VAL . 8.3 tp -147.31 144.09 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.759 ' H ' HD12 ' A' ' 21' ' ' LEU . 12.8 t -131.45 141.77 49.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.751 HD12 ' HB2' ' A' ' 27' ' ' ASP . 20.1 pt -151.33 -173.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.2 m -122.06 173.23 7.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.175 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -68.98 104.18 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.61 -6.82 7.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.751 ' HB2' HD12 ' A' ' 23' ' ' ILE . 4.4 m-20 -82.32 173.42 12.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 0.804 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.494 HG23 ' C ' ' A' ' 70' ' ' VAL . 30.5 m -124.68 157.95 34.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.413 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.046 HG11 ' CD1' ' A' ' 94' ' ' ILE . 65.2 t -131.83 111.74 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 5' ' ' ILE . 34.8 tt0 -90.5 163.31 14.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.442 ' CE1' HG12 ' A' ' 29' ' ' VAL . 47.9 m-85 -142.26 123.97 15.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.729 HG23 ' HA ' ' A' ' 66' ' ' SER . 3.8 p -123.89 157.36 30.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 109.395 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.3 ttm -107.82 128.96 55.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.15 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.8 m120 -87.1 -62.98 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.691 ' O ' HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -177.18 -161.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 35' ' ' LYS . 9.3 m 49.57 35.07 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.46 ' HA2' ' NE2' ' A' ' 39' ' ' HIS . . . -93.84 -165.64 37.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.483 ' HG3' HD11 ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.04 -176.68 18.6 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.013 0.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.468 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 61.9 m-70 -142.15 -148.93 0.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.566 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 178.97 177.99 0.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.6 t -126.7 71.42 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.623 HD12 ' OG1' ' A' ' 83' ' ' THR . 30.9 mt -94.93 90.76 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -55.71 156.33 5.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.3 t70 -88.81 -48.01 7.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER 166.97 144.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 1.028 HG22 ' HB2' ' A' ' 52' ' ' ALA . 6.1 m -128.15 153.76 78.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.094 0 O-C-N 124.525 1.802 . . . . 0.0 110.96 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.912 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 1.028 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -75.35 -51.92 3.18 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.78 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -74.97 0.2 9.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.448 1.762 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.912 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -102.38 -52.47 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.7 mt -53.52 -33.61 55.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 m -40.52 160.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.015 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -158.88 99.01 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.597 ' CB ' HD11 ' A' ' 42' ' ' ILE . 15.2 t -87.15 43.0 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.416 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ALA . 4.6 tttt -109.17 91.37 3.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.29 95.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 1.186 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -83.82 96.5 8.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.157 . . . . 0.0 109.338 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.483 HD11 ' HG3' ' A' ' 38' ' ' PRO . 3.1 mm -74.83 -54.79 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -39.83 100.04 0.21 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.06 130.7 13.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 110.965 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.19 48.19 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.729 ' HA ' HG23 ' A' ' 32' ' ' VAL . 11.6 t 63.82 96.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 0.781 . . . . 0.0 110.032 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 1.186 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 1.3 m-85 -37.45 -82.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -169.28 175.04 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -118.95 160.9 21.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.494 ' C ' HG23 ' A' ' 28' ' ' THR . 6.0 m -149.49 140.2 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.9 m -103.33 136.3 43.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.379 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.69 ' CD2' ' CE2' ' A' ' 78' ' ' TYR . 0.7 OUTLIER -115.84 172.39 7.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . -149.97 -56.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.455 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 19.4 m -53.27 136.37 50.2 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.486 0.756 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.04 147.29 33.57 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.467 1.772 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.37 179.6 20.93 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 t -113.25 121.4 44.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.773 . . . . 0.0 110.404 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.955 ' CD2' HG11 ' A' ' 46' ' ' VAL . 7.2 m-85 -96.82 130.55 44.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -117.17 142.73 46.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.014 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -142.6 171.09 14.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.685 ' HB3' HG12 ' A' ' 91' ' ' VAL . 11.2 p90 -157.46 170.01 23.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -91.3 146.82 23.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 108.284 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.623 ' OG1' HD12 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -75.24 -55.27 2.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 110.357 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.98 -35.51 3.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -102.19 69.69 1.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 109.615 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -98.62 -11.72 21.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -110.35 -27.58 4.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.64 -23.36 67.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.787 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.81 55.57 1.51 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.491 ' HE2' ' CE2' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -108.04 74.89 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.73 . . . . 0.0 111.032 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.685 HG12 ' HB3' ' A' ' 81' ' ' TYR . 22.6 m -127.77 146.92 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.604 ' O ' ' CE1' ' A' ' 80' ' ' PHE . . . -139.53 154.84 23.83 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.122 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.94 157.26 30.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.783 . . . . 0.0 110.423 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.046 ' CD1' HG11 ' A' ' 29' ' ' VAL . 74.7 mt -149.46 118.12 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' ILE . 82.6 m -101.5 144.17 30.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.416 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 96' ' ' VAL . 4.5 t -125.12 73.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 23' ' ' ILE . 6.7 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.866 HG21 HD11 ' A' ' 21' ' ' LEU . 1.7 m -112.32 177.22 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.168 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -144.67 160.4 41.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.514 HD13 ' HD2' ' A' ' 18' ' ' PRO . 10.4 mm -125.94 119.35 54.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.495 ' CE ' ' OD1' ' A' ' 34' ' ' ASN . 4.5 mttp -99.55 128.62 45.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.232 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.559 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 46.6 mtm -99.51 102.93 14.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 106.45 146.86 13.99 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.451 1.094 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.477 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 1.1 p -110.15 164.46 12.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.751 . . . . 0.0 110.42 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.425 ' HA ' ' CE ' ' A' ' 35' ' ' LYS . 10.2 t70 -63.5 -12.82 35.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' ALA . 4.3 mttt -90.69 37.98 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 38.53 29.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.564 ' HB1' HD23 ' A' ' 15' ' ' LEU . . . -102.55 116.25 63.09 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.525 ' CB ' ' CD2' ' A' ' 85' ' ' HIS . 18.2 Cg_endo -75.02 86.02 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.548 1.815 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.564 HD23 ' HB1' ' A' ' 13' ' ' ALA . 2.2 pp -144.25 152.78 41.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.559 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 5.3 m-85 -75.7 139.64 42.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 111.065 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 24.1 tt0 -144.07 126.42 8.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.514 ' HD2' HD13 ' A' ' 5' ' ' ILE . 18.3 Cg_endo -75.0 170.67 71.23 Favored 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.036 -2.485 . . . . 0.0 110.982 0.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -38.63 61.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.37 144.08 47.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.866 HD11 HG21 ' A' ' 3' ' ' VAL . 12.1 tp -143.8 142.7 31.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.565 1.166 . . . . 0.0 109.26 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.61 ' H ' HD12 ' A' ' 21' ' ' LEU . 7.7 t -132.26 144.26 50.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.951 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.784 HD12 ' HB2' ' A' ' 27' ' ' ASP . 11.1 pt -153.73 -176.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.17 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.5 m -117.8 168.5 10.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.423 1.077 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.77 103.71 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.37 -7.07 8.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.11 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.784 ' HB2' HD12 ' A' ' 23' ' ' ILE . 25.0 m-20 -78.44 175.44 10.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.437 HG23 ' C ' ' A' ' 70' ' ' VAL . 33.0 m -127.73 158.36 37.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.686 HG22 HG23 ' A' ' 3' ' ' VAL . 54.0 t -136.49 111.62 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 5' ' ' ILE . 13.9 tt0 -87.85 166.76 14.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.544 ' CE1' HG12 ' A' ' 29' ' ' VAL . 70.7 m-85 -145.03 130.68 18.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.756 HG23 ' HA ' ' A' ' 66' ' ' SER . 3.6 p -137.17 156.45 33.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.36 103.59 15.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -58.76 -70.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.573 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -173.57 -161.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 35' ' ' LYS . 12.9 p 47.33 44.1 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.411 ' HA2' ' CE1' ' A' ' 39' ' ' HIS . . . -90.18 -162.04 37.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.569 ' HB2' HD13 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.97 171.96 65.44 Favored 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.009 0.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.696 ' CE1' ' CE1' ' A' ' 85' ' ' HIS . 86.4 m-70 -137.78 176.27 8.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.565 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 3.5 p30 -161.45 169.12 22.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.588 1.18 . . . . 0.0 109.233 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.8 t -113.58 110.03 30.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.251 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.4 mm -135.35 90.86 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -57.83 164.85 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -98.96 -51.5 3.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 mttp 171.79 147.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.835 HG11 ' CD2' ' A' ' 78' ' ' TYR . 4.1 m -133.87 155.77 79.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.593 1.183 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 0.0 111.013 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.826 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.77 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . . . -74.83 -51.92 3.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -74.96 0.46 8.86 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.567 1.825 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.826 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -108.05 -42.11 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.81 -36.67 79.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.11 124.1 13.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.068 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -124.55 123.66 40.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.2 t -90.87 33.93 0.92 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -93.56 55.58 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.829 HD11 HD11 ' A' ' 62' ' ' ILE . 1.7 pp -45.73 137.86 5.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.422 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -103.36 120.01 39.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.829 HD11 HD11 ' A' ' 60' ' ' LEU . 18.4 mm -78.45 -46.92 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.51 147.47 49.64 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 164.62 32.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.0 -93.07 0.12 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.518 1.137 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.756 ' HA ' HG23 ' A' ' 32' ' ' VAL . 85.5 p 179.2 98.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 109.967 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.422 ' CE1' ' HB3' ' A' ' 61' ' ' ALA . 1.6 m-85 -37.33 -82.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 11.0 p90 177.57 177.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.875 ' O ' HG13 ' A' ' 70' ' ' VAL . 11.4 t -122.36 -179.75 4.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.012 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.875 HG13 ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -170.03 144.65 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.2 m -102.51 145.59 29.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.094 . . . . 0.0 110.419 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.4 mt -116.47 172.0 7.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.14 -48.06 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.57 1.169 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.9 m -64.56 129.51 94.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 110.479 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -75.01 148.34 35.13 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.28 -179.8 22.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.7 t -106.27 122.99 47.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.372 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.835 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.3 m-85 -98.41 139.15 34.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p -125.29 144.51 50.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.4 1.062 . . . . 0.0 110.074 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.583 ' CE1' ' C ' ' A' ' 92' ' ' GLY . 6.6 p90 -149.24 -173.12 4.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.062 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -166.59 174.95 8.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.546 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 52.0 t -121.11 99.81 6.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 108.282 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.545 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -27.14 -58.86 0.21 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.102 . . . . 0.0 110.415 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.546 ' HD2' ' SG ' ' A' ' 82' ' ' CYS . 18.5 Cg_endo -75.0 143.69 29.35 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.696 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 14.6 m80 85.46 -62.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER 37.88 -93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.268 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -45.2 -24.34 0.88 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.572 1.17 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.657 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . . . -60.46 -15.44 26.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.97 55.6 1.84 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.541 1.151 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.446 ' SD ' ' C ' ' A' ' 14' ' ' PRO . 1.3 ttt -117.42 65.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.733 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.5 m -119.01 146.4 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.583 ' C ' ' CE1' ' A' ' 80' ' ' PHE . . . -146.45 164.55 28.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -140.27 161.35 37.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.75 . . . . 0.0 110.383 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.789 HG12 HD23 ' A' ' 21' ' ' LEU . 95.4 mt -142.94 131.92 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' ILE . 41.4 m -115.07 142.53 46.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 96' ' ' VAL . 17.7 t -126.79 74.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.274 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.83 HG21 HD11 ' A' ' 21' ' ' LEU . 1.2 m -125.74 177.46 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -148.5 159.37 44.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.507 ' HB ' ' CD1' ' A' ' 31' ' ' PHE . 12.5 mm -125.07 107.89 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -89.3 139.1 30.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.415 ' HG2' ' CE ' ' A' ' 90' ' ' MET . 3.5 mtm -108.86 101.51 10.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.445 ' O ' ' ND2' ' A' ' 34' ' ' ASN . . . 117.86 145.31 7.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.686 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 14.9 p -110.15 158.6 18.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 110.39 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -60.58 -15.16 25.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.51 38.96 0.96 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 40.16 28.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.686 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -104.08 116.21 61.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.437 ' HB2' ' CB ' ' A' ' 85' ' ' HIS . 18.3 Cg_endo -75.06 92.66 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.567 1.825 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.788 HD23 ' N ' ' A' ' 16' ' ' TYR . 6.9 tt -142.08 172.24 12.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.788 ' N ' HD23 ' A' ' 15' ' ' LEU . 5.2 m-85 -96.37 127.86 42.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.074 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.474 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 18.9 tt0 -132.95 130.53 21.53 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.4 1.063 . . . . 0.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.496 ' HD2' HD13 ' A' ' 5' ' ' ILE . 18.1 Cg_endo -75.03 150.94 96.22 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.009 0.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.73 -39.94 19.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.26 148.27 48.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.83 HD11 HG21 ' A' ' 3' ' ' VAL . 5.9 tp -139.55 140.39 37.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.813 ' N ' HD12 ' A' ' 21' ' ' LEU . 16.2 t -128.87 141.27 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.618 1.199 . . . . 0.0 109.952 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.632 HG13 HG22 ' A' ' 96' ' ' VAL . 15.0 pt -150.72 -176.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.805 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 8.7 m -121.76 161.94 21.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.041 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.54 105.82 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.7 -7.98 8.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.544 ' HB2' HD12 ' A' ' 23' ' ' ILE . 9.2 m-20 -82.17 173.83 11.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.789 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.0 m -122.66 155.87 35.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.474 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.895 HG11 HD13 ' A' ' 94' ' ' ILE . 85.2 t -129.38 107.08 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 5' ' ' ILE . 1.3 tt0 -84.99 166.01 17.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.507 ' CD1' ' HB ' ' A' ' 5' ' ' ILE . 73.2 m-85 -142.92 123.94 14.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.142 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -122.59 151.28 26.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.521 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 1.9 ttp -103.62 83.95 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.985 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -40.39 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.363 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.608 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -169.43 -162.8 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 35' ' ' LYS . 12.9 p 48.14 46.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.6 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -90.99 -163.3 38.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.551 ' HB3' HD13 ' A' ' 62' ' ' ILE . 18.4 Cg_endo -74.99 174.95 50.02 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.026 -2.489 . . . . 0.0 111.005 -0.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.6 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 66.3 m-70 -132.51 -172.01 2.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.623 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.634 ' ND2' HD12 ' A' ' 42' ' ' ILE . 6.6 p-10 -169.95 -175.71 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.0 t -133.89 108.32 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.672 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 59.4 mt -137.98 104.04 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -74.38 166.26 23.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -97.53 -54.34 3.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.607 1.192 . . . . 0.0 109.311 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 mttt 177.85 148.56 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 1.043 HG11 ' CD2' ' A' ' 78' ' ' TYR . 9.6 m -130.8 156.2 80.29 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 111.044 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.507 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 4.1 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 1.041 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -63.25 -52.34 62.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.774 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -75.05 50.48 2.55 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.522 1.801 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.507 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -155.6 -45.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.25 -20.91 63.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 p -58.11 144.83 38.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.958 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -135.96 113.13 10.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.7 t -90.12 24.92 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.452 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.6 74.54 10.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.54 114.81 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.774 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -91.24 110.94 22.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.242 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.551 HD13 ' HB3' ' A' ' 38' ' ' PRO . 9.4 mm -75.31 -50.22 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.45 114.5 14.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 141.92 27.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.793 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.39 -73.16 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.0 t -173.49 104.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 109.98 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.774 ' CE1' ' HB3' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -45.32 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.8 p90 177.93 176.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.86 159.55 24.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 m -151.48 136.8 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.9 m -97.4 142.41 29.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.4 mt -129.43 172.48 11.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.48 -51.04 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 0.0 111.022 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.405 ' HB ' ' OH ' ' A' ' 78' ' ' TYR . 2.5 m -41.69 123.08 2.38 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.507 0.769 . . . . 0.0 110.4 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.97 141.55 26.87 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.63 -179.05 20.05 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.4 m -103.9 127.02 51.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 110.449 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 1.043 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.5 m-85 -102.73 135.58 44.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.4 m -114.32 145.12 42.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.048 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.599 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 8.6 p90 -156.05 179.31 9.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.672 ' CZ ' HG22 ' A' ' 42' ' ' ILE . 7.4 p90 -154.89 -174.77 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.517 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 11.3 t -131.48 101.05 5.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.238 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.569 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -31.55 -59.97 0.33 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.586 ' C ' ' CG ' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -74.99 128.53 11.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.586 ' CG ' ' C ' ' A' ' 84' ' ' PRO . 1.9 m80 87.39 -2.98 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -38.29 -52.71 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -68.22 -34.64 81.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -61.49 -14.77 31.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.398 0.705 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.52 91.18 1.39 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.438 ' SD ' ' CA ' ' A' ' 15' ' ' LEU . 3.6 ttt -148.07 93.41 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.387 0.698 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.7 m -132.88 147.39 31.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.599 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -146.69 154.57 26.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.547 1.154 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -128.2 158.27 38.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.348 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.895 HD13 HG11 ' A' ' 29' ' ' VAL . 74.0 mt -142.99 123.6 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.366 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ILE . 94.1 m -109.07 146.6 33.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.447 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.748 HG12 ' O ' ' A' ' 96' ' ' VAL . 3.8 t -127.41 75.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.805 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.819 ' CG2' HD21 ' A' ' 21' ' ' LEU . 13.6 m -112.6 176.8 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -148.46 152.03 36.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 110.282 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' GLU . 4.4 mm -115.53 112.76 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.462 ' HG2' ' CG1' ' A' ' 32' ' ' VAL . 26.9 mttt -81.85 141.6 33.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.641 ' HE1' ' CD1' ' A' ' 67' ' ' PHE . 3.1 mpp? -114.95 103.46 10.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 104.59 143.26 12.07 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.58 1.175 . . . . 0.0 111.009 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.943 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 81.4 p -112.82 154.24 26.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.565 0.803 . . . . 0.0 110.396 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -61.08 -15.1 29.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -91.41 39.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 42.06 32.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.943 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -107.73 103.0 47.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.422 ' C ' ' SD ' ' A' ' 90' ' ' MET . 18.2 Cg_endo -75.04 81.18 2.28 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.538 1.81 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.401 ' HA ' ' CG ' ' A' ' 90' ' ' MET . 3.6 pp -141.51 155.29 45.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -72.43 124.63 25.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 21.5 tt0 -119.91 125.38 27.4 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 18.1 Cg_endo -75.02 -174.11 13.54 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.985 -2.506 . . . . 0.0 110.924 0.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.48 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -91.58 23.54 3.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 19' ' ' LYS . . . 176.81 137.09 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.819 HD21 ' CG2' ' A' ' 3' ' ' VAL . 11.1 tp -138.34 143.48 39.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.829 ' HA ' HG22 ' A' ' 95' ' ' THR . 23.2 t -128.69 139.05 52.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.059 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.625 HG13 HG22 ' A' ' 96' ' ' VAL . 18.6 pt -145.87 -173.73 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.697 ' C ' HG13 ' A' ' 96' ' ' VAL . 11.2 m -119.83 175.2 6.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.936 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.15 101.94 3.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.23 1.52 9.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.479 ' HB2' HD12 ' A' ' 23' ' ' ILE . 5.6 m-20 -86.41 175.08 8.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.785 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.2 m -124.61 157.02 36.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.92 HG11 HD13 ' A' ' 94' ' ' ILE . 89.7 t -132.7 106.4 10.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 5' ' ' ILE . 3.3 tt0 -87.55 169.27 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CE1' HG12 ' A' ' 29' ' ' VAL . 49.9 m-85 -146.63 127.74 14.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 111.009 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.462 ' CG1' ' HG2' ' A' ' 6' ' ' LYS . 3.5 p -128.14 142.82 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -91.51 116.1 28.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 2.0 m120 -75.47 -68.19 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.691 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -170.57 -167.58 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.691 HG12 ' O ' ' A' ' 35' ' ' LYS . 8.8 p 49.74 41.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.222 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.597 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -89.52 -162.74 38.69 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.147 . . . . 0.0 111.072 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -179.84 28.07 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.026 0.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.597 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 52.0 m-70 -135.75 -173.38 3.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.636 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.481 ' ND2' ' CG1' ' A' ' 42' ' ' ILE . 50.6 p-10 -164.63 -172.21 2.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.3 t -136.08 90.48 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.659 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 10.8 mm -119.63 112.35 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -76.98 159.73 29.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.7 t0 -91.61 -49.3 6.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.534 1.146 . . . . 0.0 109.393 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 2.2 mtmt 168.58 144.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 1.033 ' CG1' ' HB2' ' A' ' 52' ' ' ALA . 10.2 m -123.09 157.91 59.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.66 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 1.033 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . . . -54.44 -52.44 69.4 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.791 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.95 50.99 2.65 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.66 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -156.83 -45.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.51 -33.07 70.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -43.0 122.3 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -124.33 127.6 47.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.5 t -91.14 33.21 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 110.392 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -88.21 69.54 9.18 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.411 ' HA ' ' O ' ' A' ' 39' ' ' HIS . 0.4 OUTLIER -54.56 127.55 28.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -96.86 107.26 19.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.513 HD12 ' N ' ' A' ' 62' ' ' ILE . 1.7 mp -75.12 -51.81 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.82 144.15 98.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 131.57 14.53 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.03 -135.91 3.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -131.36 106.32 8.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 0.807 . . . . 0.0 109.984 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.641 ' CD1' ' HE1' ' A' ' 7' ' ' MET . 28.3 m-85 -37.4 -73.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 111.046 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.6 p90 175.22 174.61 0.23 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.541 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -117.19 164.01 15.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.008 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 69' ' ' SER . 0.9 OUTLIER -155.78 138.49 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 27' ' ' ASP . 90.5 m -99.27 152.32 20.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.392 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.726 HD22 ' CE2' ' A' ' 78' ' ' TYR . 1.6 mt -123.98 169.15 11.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.396 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -156.06 42.31 0.56 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.43 1.081 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -145.97 128.59 8.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.566 0.803 . . . . 0.0 110.385 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.5 Cg_endo -75.02 141.67 26.87 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.17 -179.89 18.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.4 t -106.34 122.98 47.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 110.378 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.726 ' CE2' HD22 ' A' ' 72' ' ' LEU . 21.8 m-30 -96.23 145.72 25.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.09 138.1 54.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.469 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 3.0 p90 -146.04 178.77 7.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.659 ' CZ ' HG22 ' A' ' 42' ' ' ILE . 14.3 p90 -155.12 175.25 14.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.539 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 8.7 t -124.05 99.61 6.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 108.32 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.544 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -30.65 -58.96 0.31 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.35 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.623 ' C ' ' CG ' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -75.0 132.67 15.69 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.48 1.779 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.623 ' CG ' ' C ' ' A' ' 84' ' ' PRO . 0.1 OUTLIER 80.3 -3.94 1.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.617 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -42.37 -41.21 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.372 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.74 -36.97 88.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -63.32 -14.67 52.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.66 79.97 1.37 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 14' ' ' PRO . 5.3 ttt -129.89 84.88 2.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 0.758 . . . . 0.0 111.034 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.8 m -124.62 147.66 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.469 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -141.92 160.76 27.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.93 151.9 49.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 0.72 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.92 HD13 HG11 ' A' ' 29' ' ' VAL . 84.1 mt -143.97 117.85 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.829 HG22 ' HA ' ' A' ' 22' ' ' SER . 15.1 t -106.3 155.83 19.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.43 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.697 HG13 ' C ' ' A' ' 24' ' ' SER . 37.9 t -130.3 72.72 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.587 1.18 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m 62.49 93.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.999 ' CG2' HD21 ' A' ' 21' ' ' LEU . 15.0 m -120.6 174.66 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -143.53 146.1 33.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.502 ' HA ' HD13 ' A' ' 5' ' ' ILE . 7.6 mm -106.37 108.79 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.429 ' HG2' ' CG1' ' A' ' 32' ' ' VAL . 37.0 mttt -88.65 129.26 35.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.485 ' HB3' ' HE1' ' A' ' 90' ' ' MET . 4.8 mpp? -100.68 103.85 15.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.16 144.11 10.07 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.45 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 1.2 p -108.05 164.52 12.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 0.721 . . . . 0.0 110.388 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -63.66 -12.81 36.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.521 ' HE3' HD21 ' A' ' 15' ' ' LEU . 14.4 pttt -90.78 37.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 38.98 29.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.474 ' HB2' ' HG3' ' A' ' 11' ' ' LYS . . . -105.35 117.48 58.18 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.543 ' HG3' HG11 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -74.94 96.52 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.526 1.803 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.521 HD21 ' HE3' ' A' ' 11' ' ' LYS . 3.0 pp -150.2 156.97 42.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.422 ' N ' ' HG3' ' A' ' 90' ' ' MET . 4.1 m-85 -81.0 130.54 35.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.499 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 25.5 tt0 -139.58 134.01 16.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.01 139.3 60.94 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.032 -2.487 . . . . 0.0 111.023 0.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' PRO . 2.0 tttt -39.59 -39.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.42 145.18 50.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.999 HD21 ' CG2' ' A' ' 3' ' ' VAL . 12.1 tp -142.15 142.06 32.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.602 ' H ' HD12 ' A' ' 21' ' ' LEU . 8.7 t -128.93 143.83 51.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.968 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.771 HD12 ' HB2' ' A' ' 27' ' ' ASP . 18.8 pt -150.13 -175.48 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 1.009 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 8.1 m -106.67 170.18 8.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.163 . . . . 0.0 110.087 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.442 ' HA ' ' CG1' ' A' ' 96' ' ' VAL . . . -72.65 101.48 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.47 -3.29 9.51 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.771 ' HB2' HD12 ' A' ' 23' ' ' ILE . 8.9 m-20 -76.97 176.46 8.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.509 ' HG1' ' HG1' ' A' ' 71' ' ' THR . 12.1 m -122.67 154.64 37.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.638 HG12 ' CE1' ' A' ' 31' ' ' PHE . 73.2 t -132.47 103.15 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 5' ' ' ILE . 7.8 tt0 -80.02 170.2 16.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.586 1.179 . . . . 0.0 110.317 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.638 ' CE1' HG12 ' A' ' 29' ' ' VAL . 57.4 m-85 -148.97 118.07 6.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.874 HG23 ' HA ' ' A' ' 66' ' ' SER . 3.1 p -125.18 149.43 29.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.511 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 24.8 mtp -92.72 112.67 24.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.424 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.3 m120 -71.47 -67.54 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.74 -175.04 2.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.543 HG11 ' HG3' ' A' ' 14' ' ' PRO . 3.8 t 55.18 67.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.414 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -100.69 -172.47 29.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.563 1.164 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 178.5 34.41 Favored 'Cis proline' 0 C--N 1.361 1.211 0 C-N-CA 120.944 -2.523 . . . . 0.0 111.039 -0.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.511 ' CD2' ' HG2' ' A' ' 33' ' ' MET . 93.6 m-70 -133.5 -171.22 2.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.594 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -175.41 -173.2 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' ASN . 93.5 t -138.31 89.69 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.663 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 67.3 mt -122.22 100.87 9.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.44 ' N ' ' OG ' ' A' ' 56' ' ' SER . 98.1 m-85 -61.76 160.46 11.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.45 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 4.6 t70 -90.56 -50.56 5.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 4.2 mtmt 167.24 146.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.597 1.186 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 1.028 HG13 ' HB2' ' A' ' 52' ' ' ALA . 9.3 m -128.69 158.37 72.34 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 163.13 36.0 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.509 1.794 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.91 134.85 1.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.354 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.493 ' HA3' HG21 ' A' ' 74' ' ' THR . . . 135.46 -61.36 0.63 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.559 1.162 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.597 ' OE2' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -105.4 -172.83 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 110.327 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.4 m -131.72 78.32 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 1.028 ' HB2' HG13 ' A' ' 46' ' ' VAL . . . -54.38 -51.26 79.59 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.764 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.09 51.03 2.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -159.09 -48.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.597 HD12 ' OE2' ' A' ' 50' ' ' GLU . 13.2 mt -67.92 -21.08 65.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' A' ' 43' ' ' PHE . 3.0 m -50.7 167.17 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.975 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' VAL . 5.2 t-20 -160.57 108.1 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.1 t -89.54 21.3 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.453 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -85.75 55.67 3.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 60' ' ' LEU . 2.2 pp -40.45 127.5 2.38 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.35 117.21 30.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.2 tp -68.33 -43.95 84.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.54 120.17 12.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 131.15 14.08 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.85 -167.32 40.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.874 ' HA ' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -90.26 97.28 11.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 0.73 . . . . 0.0 110.011 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.469 ' CE2' ' SD ' ' A' ' 33' ' ' MET . 2.1 m-85 -37.51 -76.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -178.11 174.32 1.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.419 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -118.8 159.79 23.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.976 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 69' ' ' SER . 6.2 m -152.21 136.97 10.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.509 ' HG1' ' HG1' ' A' ' 28' ' ' THR . 1.9 m -95.88 147.2 23.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.96 172.45 9.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.58 -44.77 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.516 1.135 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.493 HG21 ' HA3' ' A' ' 49' ' ' GLY . 1.2 m -55.77 123.93 54.67 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.449 0.735 . . . . 0.0 110.405 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.95 143.83 29.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.26 -178.93 20.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.108 . . . . 0.0 111.058 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -103.81 125.26 50.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 110.392 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.775 ' CD2' HG11 ' A' ' 46' ' ' VAL . 7.1 m-85 -106.94 138.91 42.22 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.6 t -116.72 165.32 13.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.565 ' CE1' ' HA3' ' A' ' 92' ' ' GLY . 14.5 p90 -163.74 -178.05 5.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.663 ' CZ ' HG22 ' A' ' 42' ' ' ILE . 11.4 p90 -167.94 162.37 13.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 111.052 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.24 147.73 24.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.346 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.566 ' OG1' HD12 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -76.09 -54.95 1.92 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.446 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.02 -31.24 6.34 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.412 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 21.1 m80 -107.45 67.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.607 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -101.16 -27.48 13.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -99.32 -22.38 13.01 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.24 -10.9 55.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 80.24 54.83 3.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.485 ' HE1' ' HB3' ' A' ' 7' ' ' MET . 9.0 ttt -115.95 77.87 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 0.73 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.56 150.54 32.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 80' ' ' PHE . . . -142.15 -173.31 14.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.432 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 1.3 m -152.89 159.55 43.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.577 0.81 . . . . 0.0 110.424 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.448 HD12 ' CE2' ' A' ' 80' ' ' PHE . 5.8 mt -136.96 151.23 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' ILE . 2.7 m -130.43 138.4 50.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 75' ' ' PRO . 53.8 t -124.79 85.94 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 1.009 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -158.27 155.1 28.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.955 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.921 HG21 HD11 ' A' ' 21' ' ' LEU . 3.0 m -126.79 177.35 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.29 148.23 36.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 5' ' ' ILE . 8.4 mm -113.34 110.99 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.532 ' HG2' HG13 ' A' ' 32' ' ' VAL . 23.2 mttt -91.21 128.92 37.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.498 ' HB3' ' HE1' ' A' ' 90' ' ' MET . 0.0 OUTLIER -101.55 98.61 8.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.05 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.64 150.41 9.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.81 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 30.4 p -115.06 155.9 26.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 110.363 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -60.17 -15.6 25.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.41 40.07 1.0 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.216 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 40.24 28.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.81 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -103.83 113.25 65.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.562 ' HG3' HG21 ' A' ' 36' ' ' VAL . 18.3 Cg_endo -75.07 89.38 1.17 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 89' ' ' GLY . 1.8 tt -140.58 170.77 15.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.589 1.18 . . . . 0.0 109.354 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.485 ' O ' HD23 ' A' ' 15' ' ' LEU . 3.6 m-85 -93.82 127.35 39.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 16.6 tt0 -131.42 130.64 22.58 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.472 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -74.98 151.84 97.44 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.959 -2.517 . . . . 0.0 110.982 -0.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -49.52 -39.86 35.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.76 152.1 44.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.921 HD11 HG21 ' A' ' 3' ' ' VAL . 11.1 tp -144.96 142.8 30.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.661 ' H ' HD12 ' A' ' 21' ' ' LEU . 9.9 t -129.57 143.09 50.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.675 HD12 ' HB2' ' A' ' 27' ' ' ASP . 12.9 pt -155.12 -175.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.471 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 5.0 p -120.9 169.34 10.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.472 1.107 . . . . 0.0 110.031 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.62 105.61 1.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.9 -7.26 8.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.675 ' HB2' HD12 ' A' ' 23' ' ' ILE . 37.5 m-20 -81.23 173.84 12.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.356 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 m -127.11 154.09 45.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 110.416 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.672 HG11 HD13 ' A' ' 94' ' ' ILE . 97.6 t -131.56 102.57 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 5' ' ' ILE . 12.2 tt0 -77.3 170.37 16.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.254 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 30' ' ' GLU . 39.8 m-85 -147.24 118.25 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.532 HG13 ' HG2' ' A' ' 6' ' ' LYS . 9.9 p -122.09 152.22 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.574 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 2.7 ttp -94.85 119.26 33.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.38 -65.78 0.91 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.492 ' C ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -171.19 -167.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.233 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.562 HG21 ' HG3' ' A' ' 14' ' ' PRO . 8.9 p 46.16 55.91 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.598 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -90.94 -171.81 43.51 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HB3' HD13 ' A' ' 62' ' ' ILE . 18.2 Cg_endo -75.03 -169.02 6.98 Favored 'Cis proline' 0 C--N 1.361 1.206 0 C-N-CA 120.925 -2.531 . . . . 0.0 111.0 -0.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.598 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 81.2 m-70 -145.52 -170.6 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.547 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 1.6 p30 171.84 167.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.744 ' O ' HD13 ' A' ' 42' ' ' ILE . 41.1 t -108.17 111.33 35.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.744 HD13 ' O ' ' A' ' 41' ' ' VAL . 6.5 mm -129.18 69.52 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -37.95 157.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.1 t70 -92.76 -49.07 6.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 1.8 mttt 167.51 149.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.954 HG22 ' HB2' ' A' ' 52' ' ' ALA . 30.0 m -131.14 159.1 73.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 48' ' ' ALA . 18.1 Cg_endo -75.02 160.45 40.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' PRO . . . -39.26 134.86 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.549 ' HA3' HG21 ' A' ' 74' ' ' THR . . . 134.79 -58.65 0.68 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.446 ' OE1' HD12 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -104.4 -172.18 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.59 0.818 . . . . 0.0 110.307 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.564 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -130.95 78.86 1.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.989 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.954 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -54.67 -50.41 85.82 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.718 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.2 Cg_endo -75.01 51.02 2.68 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.564 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -159.43 -45.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.24 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.446 HD12 ' OE1' ' A' ' 50' ' ' GLU . 13.6 mt -70.22 -28.25 65.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.47 94.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -83.88 116.54 22.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 t -90.28 35.65 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -99.76 74.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.64 103.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.667 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -81.07 108.01 14.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.373 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.485 HD13 ' HB3' ' A' ' 38' ' ' PRO . 26.0 mm -72.24 -49.12 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.34 114.04 27.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.43 21.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.43 55.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.485 ' HA ' HG23 ' A' ' 32' ' ' VAL . 2.6 m 55.21 89.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.968 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.667 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 2.0 m-85 -37.49 -83.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.438 1.087 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -171.1 174.77 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.17 159.02 26.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.023 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.5 m -148.52 136.23 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.3 m -96.52 121.16 38.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.5 HD22 ' N ' ' A' ' 72' ' ' LEU . 1.9 mm? -91.87 173.21 7.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -151.48 -63.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 111.056 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.549 HG21 ' HA3' ' A' ' 49' ' ' GLY . 2.0 m -45.39 130.5 6.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.434 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 144.52 30.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.78 -178.59 19.62 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.2 m -106.5 118.47 36.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.371 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.95 ' CD2' HG11 ' A' ' 46' ' ' VAL . 7.1 m-85 -93.4 139.67 30.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.386 1.054 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p -121.17 146.54 46.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.474 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 8.5 p90 -147.79 -173.57 4.32 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.743 ' CB ' HG12 ' A' ' 91' ' ' VAL . 15.8 p90 -172.15 166.15 6.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.89 123.85 37.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 108.341 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.506 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -53.27 -51.32 76.47 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.4 Cg_endo -74.9 -59.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.484 1.781 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.504 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 29.4 m80 -77.51 56.16 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.388 1.055 . . . . 0.0 109.574 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -90.28 -36.0 14.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.598 1.186 . . . . 0.0 110.335 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.34 -29.62 16.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.01 -13.94 60.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 0.733 . . . . 0.0 109.318 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.655 ' O ' HD12 ' A' ' 15' ' ' LEU . . . 81.93 83.02 0.83 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.498 ' HE1' ' HB3' ' A' ' 7' ' ' MET . 9.9 ttt -141.51 77.15 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 111.061 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.743 HG12 ' CB ' ' A' ' 81' ' ' TYR . 4.6 m -130.14 147.4 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.474 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -138.31 -171.64 12.25 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.546 1.154 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.4 m -147.0 160.21 42.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 110.411 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.672 HD13 HG11 ' A' ' 29' ' ' VAL . 94.9 mt -144.56 125.55 8.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.391 1.057 . . . . 0.0 109.266 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ILE . 64.0 m -106.89 143.84 34.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.375 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.734 HG12 ' O ' ' A' ' 96' ' ' VAL . 3.8 t -127.73 75.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.241 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.471 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 1.9 mt-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.612 1.195 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p 49.04 90.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.949 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 1.149 HG21 HD11 ' A' ' 21' ' ' LEU . 16.1 m -116.05 171.09 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.427 ' CB ' ' HB3' ' A' ' 30' ' ' GLU . 6.3 pt20 -136.69 164.53 28.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' GLU . 8.2 mm -123.81 117.81 52.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.585 1.178 . . . . 0.0 109.284 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.477 ' HG2' HG13 ' A' ' 32' ' ' VAL . 3.2 mtmt -99.16 133.83 42.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.423 ' HG2' ' CE ' ' A' ' 90' ' ' MET . 7.6 mtm -105.07 99.95 9.56 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.5 145.63 9.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.627 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 2.3 p -108.69 160.74 15.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 0.775 . . . . 0.0 110.35 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -60.15 -15.72 26.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' ALA . 6.3 ttmt -90.74 39.79 1.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.179 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 38.11 29.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.627 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -104.29 116.98 60.41 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.542 ' HG3' HG21 ' A' ' 36' ' ' VAL . 18.3 Cg_endo -75.01 95.06 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.418 1.746 . . . . 0.0 111.053 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.529 HD11 HG21 ' A' ' 9' ' ' THR . 1.8 pp -149.22 152.27 35.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.415 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 2.5 m-85 -78.09 128.28 33.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 14.4 tt0 -132.15 134.25 24.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.02 142.06 73.62 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.95 0.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -39.94 7.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.71 141.33 48.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.149 HD11 HG21 ' A' ' 3' ' ' VAL . 13.9 tp -142.99 139.22 30.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.366 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.423 ' C ' HG23 ' A' ' 23' ' ' ILE . 9.2 t -130.2 143.06 50.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.658 HG13 HG22 ' A' ' 96' ' ' VAL . 20.2 pt -151.87 -175.15 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.619 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 47.2 t -117.51 -176.38 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.02 102.66 10.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.32 -5.72 8.75 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.583 ' HB2' HD12 ' A' ' 23' ' ' ILE . 22.6 m-20 -77.85 174.02 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 m -121.88 160.14 25.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.778 HG11 HD13 ' A' ' 94' ' ' ILE . 89.9 t -136.68 104.31 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -79.41 167.99 20.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.108 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CE1' HG12 ' A' ' 29' ' ' VAL . 50.6 m-85 -148.8 125.0 10.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.878 HG23 ' HA ' ' A' ' 66' ' ' SER . 4.8 p -135.46 151.91 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.556 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 21.9 mtp -97.04 118.39 33.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.455 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.1 m120 -75.82 -66.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.51 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -169.03 -166.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.542 HG21 ' HG3' ' A' ' 14' ' ' PRO . 11.4 p 46.68 52.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.596 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -88.75 -170.15 45.23 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.452 1.095 . . . . 0.0 111.047 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.55 9.55 Favored 'Cis proline' 0 C--N 1.359 1.106 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.029 -0.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.596 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 84.7 m-70 -145.33 -169.71 3.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.544 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.525 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 2.7 p30 169.61 169.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.666 ' O ' HD13 ' A' ' 42' ' ' ILE . 86.4 t -110.03 113.82 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.231 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.666 HD13 ' O ' ' A' ' 41' ' ' VAL . 13.7 mm -134.4 70.52 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.436 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 82.0 m-85 -39.1 159.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 2.3 t70 -93.09 -49.96 5.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 5.8 mttt 167.58 149.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.976 HG22 ' HB2' ' A' ' 52' ' ' ALA . 27.8 m -130.17 159.01 72.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -74.92 161.53 38.8 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.591 1.837 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' PRO . . . -38.91 134.48 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 138.86 -58.55 0.61 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.552 1.157 . . . . 0.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.31 -170.99 1.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 0.763 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 m -128.6 78.33 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.976 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -50.19 -50.9 67.28 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.417 1.073 . . . . 0.0 109.274 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.735 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -75.1 51.2 2.76 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.41 -45.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.078 . . . . 0.0 109.349 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' A' ' 55' ' ' LEU . 13.0 mt -67.87 -33.08 74.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.19 112.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -108.47 129.49 55.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.5 t -91.08 30.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -86.56 54.52 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.637 HD11 HD11 ' A' ' 62' ' ' ILE . 1.8 pp -41.52 119.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.69 109.71 20.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.637 HD11 HD11 ' A' ' 60' ' ' LEU . 25.8 mm -71.89 -50.51 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.68 147.08 94.32 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.252 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.54 21.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.46 -172.66 41.78 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.878 ' HA ' HG23 ' A' ' 32' ' ' VAL . 57.5 p -94.16 104.73 16.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 0.749 . . . . 0.0 110.06 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.525 ' CZ ' ' HA ' ' A' ' 40' ' ' ASN . 1.8 m-85 -37.14 -73.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.3 p90 173.42 173.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 111.041 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.42 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -111.95 156.2 22.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 110.041 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 69' ' ' SER . 2.2 m -151.67 138.01 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.541 1.15 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.3 m -90.56 155.05 19.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.6 mt -132.8 163.27 29.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.02 -49.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.42 ' HB ' ' OH ' ' A' ' 78' ' ' TYR . 1.0 OUTLIER -49.67 121.12 11.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.395 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.97 27.25 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.477 1.777 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.09 -179.22 19.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.2 t -99.94 123.25 43.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 0.746 . . . . 0.0 110.392 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.844 ' CD2' HG11 ' A' ' 46' ' ' VAL . 7.9 m-85 -100.17 134.38 43.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 m -120.39 140.02 51.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.493 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 3.1 p90 -141.34 -171.07 3.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -172.24 168.55 5.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.96 114.13 25.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 108.306 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.509 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -43.47 -51.18 15.73 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.92 -61.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.452 1.764 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -77.77 71.12 4.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.612 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -99.7 -39.62 8.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.67 -21.82 38.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.13 -9.91 50.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.434 0.726 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.65 65.75 1.94 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.474 1.109 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.423 ' CE ' ' HG2' ' A' ' 7' ' ' MET . 8.4 ttt -127.24 77.26 1.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 0.733 . . . . 0.0 111.046 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.8 m -128.44 156.31 40.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.148 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.412 ' C ' ' CE1' ' A' ' 80' ' ' PHE . . . -146.52 -168.63 13.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.441 1.088 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -146.82 161.5 40.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 0.733 . . . . 0.0 110.387 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.778 HD13 HG11 ' A' ' 29' ' ' VAL . 58.6 mt -150.41 115.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.546 1.154 . . . . 0.0 109.38 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' ILE . 97.5 m -102.92 147.51 26.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.407 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 96' ' ' VAL . 6.0 t -127.63 72.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.619 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 58.55 111.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.092 . . . . 0.0 109.98 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.922 HG21 HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -115.86 174.02 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -144.0 153.61 42.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.492 HG21 ' CE2' ' A' ' 31' ' ' PHE . 5.6 mm -119.04 113.92 43.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.628 ' HG2' HG13 ' A' ' 32' ' ' VAL . 27.5 mttt -94.61 130.09 41.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.46 ' CE ' ' HB3' ' A' ' 31' ' ' PHE . 6.5 mtm -100.22 101.52 12.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.15 146.13 8.86 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.834 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 16.7 p -109.95 159.04 17.61 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 0.73 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -58.49 -16.99 17.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.18 40.65 1.01 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 38.35 29.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.056 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.834 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -101.71 115.47 64.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.746 ' HG3' HG11 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -75.03 85.8 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.551 1.816 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 89' ' ' GLY . 0.8 OUTLIER -137.49 171.07 15.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.411 1.069 . . . . 0.0 109.281 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.433 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.3 m-85 -94.66 128.86 41.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 24.6 tt0 -136.18 127.56 17.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.223 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.92 158.36 99.02 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.027 -0.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -61.92 -39.59 92.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.71 145.65 48.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.922 HD11 HG21 ' A' ' 3' ' ' VAL . 11.5 tp -141.74 140.85 33.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.609 ' H ' HD12 ' A' ' 21' ' ' LEU . 9.8 t -129.39 143.13 50.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.827 HD12 ' HB2' ' A' ' 27' ' ' ASP . 15.2 pt -153.16 -175.15 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 1.01 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 16.0 m -119.92 161.56 20.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 109.968 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.61 106.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.367 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.0 -8.24 8.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.827 ' HB2' HD12 ' A' ' 23' ' ' ILE . 6.6 m-20 -80.12 175.22 10.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.404 HG23 ' C ' ' A' ' 70' ' ' VAL . 28.9 m -128.72 157.65 40.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.521 HG13 ' CD2' ' A' ' 21' ' ' LEU . 61.9 t -136.45 109.6 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 5' ' ' ILE . 3.0 tm-20 -86.76 169.9 12.21 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 1.11 . . . . 0.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.492 ' CE2' HG21 ' A' ' 5' ' ' ILE . 38.2 m-85 -147.57 120.77 8.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.628 HG13 ' HG2' ' A' ' 6' ' ' LYS . 10.0 p -124.28 156.11 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.429 ' CG ' ' CD2' ' A' ' 39' ' ' HIS . 1.9 ttp -96.4 124.5 40.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.491 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.3 m120 -86.27 -62.0 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.16 -171.58 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.746 HG11 ' HG3' ' A' ' 14' ' ' PRO . 2.6 t 47.19 61.38 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.58 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -99.4 -173.25 31.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.593 1.183 . . . . 0.0 111.032 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -169.19 7.13 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.018 -0.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.58 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 75.8 m-70 -143.99 -169.93 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.63 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.9 OUTLIER 179.37 163.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 56' ' ' SER . 26.5 t -108.84 84.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.99 HD12 ' OG1' ' A' ' 83' ' ' THR . 22.8 mt -108.8 91.24 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -56.67 163.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 7.0 t0 -93.63 -50.11 5.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 1.1 mttt 167.83 147.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.91 HG13 ' HB2' ' A' ' 52' ' ' ALA . 15.0 m -128.31 158.26 71.94 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 162.37 37.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.425 1.75 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.83 132.43 1.73 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.428 1.08 . . . . 0.0 109.333 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.775 ' HA3' HG21 ' A' ' 74' ' ' THR . . . 137.64 -67.43 0.53 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.432 ' HB3' HG21 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -94.63 -173.04 2.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.255 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.55 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -128.98 77.11 1.77 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.991 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.91 ' HB2' HG13 ' A' ' 46' ' ' VAL . . . -55.28 -52.79 68.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.793 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.92 51.02 2.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.55 1.816 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.55 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -157.9 -45.57 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.596 1.185 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.29 -31.05 69.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 1.5 m -44.09 129.36 6.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -127.8 86.07 2.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.457 ' CB ' HD11 ' A' ' 42' ' ' ILE . 9.7 t -57.8 -16.43 11.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 95.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.2 OUTLIER -67.53 96.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.838 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -83.5 102.61 12.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.475 HG23 ' N ' ' A' ' 63' ' ' ALA . 10.0 tp -72.87 -51.94 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.475 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -39.66 100.05 0.21 Allowed Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.08 131.68 14.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.2 -57.75 0.13 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.594 1.184 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.615 ' HA ' HG23 ' A' ' 32' ' ' VAL . 17.8 p 173.36 91.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.838 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 1.9 m-85 -37.63 -83.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -177.16 178.64 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.82 ' O ' HG13 ' A' ' 70' ' ' VAL . 11.4 t -125.74 -179.47 4.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.82 HG13 ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -168.83 141.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 27' ' ' ASP . 52.2 m -100.32 145.23 28.39 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 110.37 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.6 mt -120.16 173.05 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.85 -44.54 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.125 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.775 HG21 ' HA3' ' A' ' 49' ' ' GLY . 14.3 m -61.02 129.99 90.89 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 0.0 110.443 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.0 145.35 31.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.553 1.817 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.14 -179.89 20.33 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.8 t -107.89 122.3 46.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.79 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.573 ' CD2' HG11 ' A' ' 46' ' ' VAL . 30.2 m-85 -97.84 132.5 43.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -114.98 143.55 44.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.566 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 13.2 p90 -144.03 -176.28 4.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.386 1.054 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.535 ' CB ' HG12 ' A' ' 91' ' ' VAL . 14.9 p90 -172.91 152.75 2.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -83.99 140.88 31.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 108.324 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.99 ' OG1' HD12 ' A' ' 42' ' ' ILE . 1.2 m -77.9 -45.8 2.34 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.377 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -74.98 -38.45 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.593 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 31.5 m80 -105.67 45.25 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.632 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -79.08 -36.6 40.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.25 -24.03 25.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.18 -11.23 58.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.751 ' O ' HD12 ' A' ' 15' ' ' LEU . . . 82.53 71.25 1.31 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 16' ' ' TYR . 14.4 ttt -134.76 84.6 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.753 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.535 HG12 ' CB ' ' A' ' 81' ' ' TYR . 3.2 m -133.01 156.04 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.566 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -147.14 -171.51 16.4 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.445 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -152.28 156.73 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 0.717 . . . . 0.0 110.351 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.569 HG12 HD23 ' A' ' 21' ' ' LEU . 14.6 mt -138.8 134.88 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' ILE . 5.7 m -116.19 140.27 49.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.739 HG12 ' O ' ' A' ' 96' ' ' VAL . 4.2 t -124.8 74.83 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 1.01 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.9 p -58.84 125.27 22.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.852 HG21 HD11 ' A' ' 21' ' ' LEU . 35.5 m -111.81 167.24 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -131.78 147.28 52.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.571 ' HB ' ' CD1' ' A' ' 31' ' ' PHE . 14.3 mm -115.31 107.53 23.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.73 ' HG2' HG13 ' A' ' 32' ' ' VAL . 10.2 mttp -84.97 137.58 33.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 3.8 mpp? -99.98 110.31 22.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 101.35 162.39 27.31 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.882 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 2.8 p -124.69 156.67 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.424 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -61.14 -15.04 29.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.22 41.37 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 38.88 30.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.882 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -102.24 107.59 53.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.406 ' C ' ' SD ' ' A' ' 90' ' ' MET . 18.5 Cg_endo -75.06 78.08 3.0 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.686 HD23 ' HB1' ' A' ' 13' ' ' ALA . 2.2 pp -141.25 160.91 39.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.424 ' N ' ' HG3' ' A' ' 90' ' ' MET . 5.7 m-85 -77.09 139.85 40.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.514 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 22.6 tt0 -142.98 134.15 12.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.234 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.514 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.03 141.5 71.91 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 121.011 -2.496 . . . . 0.0 110.931 -0.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' PRO . 1.1 mttt -39.0 -36.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.34 150.41 49.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.852 HD11 HG21 ' A' ' 3' ' ' VAL . 12.7 tp -147.47 145.3 29.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.528 ' H ' HD12 ' A' ' 21' ' ' LEU . 7.9 t -130.55 144.87 51.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.545 HG13 HG22 ' A' ' 96' ' ' VAL . 15.5 pt -155.42 -175.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.706 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 7.8 m -123.64 164.4 19.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.047 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.19 106.04 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.31 -8.38 8.45 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.487 ' HB2' HD12 ' A' ' 23' ' ' ILE . 8.8 m-20 -80.02 174.01 12.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.3 m -122.68 150.61 42.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.405 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.949 HG11 HD13 ' A' ' 94' ' ' ILE . 75.3 t -129.68 92.28 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -71.75 168.19 18.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.319 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 5' ' ' ILE . 66.5 m-85 -146.41 125.77 13.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.843 HG23 ' HA ' ' A' ' 66' ' ' SER . 8.0 p -137.06 148.43 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.393 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.488 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 7.9 mtp -78.09 113.92 16.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -73.54 -67.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.738 ' C ' HG23 ' A' ' 36' ' ' VAL . 7.4 tttt -175.48 146.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.738 HG23 ' C ' ' A' ' 35' ' ' LYS . 2.8 t 85.4 69.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.439 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -99.13 -171.26 31.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 174.71 51.29 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.91 0.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.488 ' CD2' ' HG2' ' A' ' 33' ' ' MET . 93.7 m-70 -131.09 -171.14 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.628 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.432 ' ND2' HG12 ' A' ' 42' ' ' ILE . 27.6 p-10 -176.9 -166.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.4 t -143.05 89.82 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.397 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.846 HD13 ' HB3' ' A' ' 56' ' ' SER . 18.2 mm -120.95 97.67 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -64.64 160.48 19.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.451 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -89.67 -48.64 7.14 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER 166.87 145.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.831 HG22 ' HB2' ' A' ' 52' ' ' ALA . 21.0 m -127.72 158.27 70.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -75.04 161.08 39.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.556 1.819 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' PRO . . . -39.88 136.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.464 ' HA3' ' CG2' ' A' ' 74' ' ' THR . . . 134.94 -54.58 0.75 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.729 ' OE2' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -109.86 -172.87 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 110.313 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.2 m -128.78 77.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.831 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -55.48 -52.95 67.53 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.8 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -74.99 50.94 2.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.453 1.765 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -159.46 -45.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.729 HD11 ' OE2' ' A' ' 50' ' ' GLU . 9.7 mt -68.01 -27.15 66.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.846 ' HB3' HD13 ' A' ' 42' ' ' ILE . 1.8 m -48.72 111.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.026 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -106.56 120.48 42.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.479 ' O ' HD23 ' A' ' 60' ' ' LEU . 8.9 t -90.33 23.7 2.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.44 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -85.5 57.88 4.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -54.2 119.57 5.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.24 120.33 26.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.6 mm -69.47 -46.13 76.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.99 152.63 59.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 132.44 15.5 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.433 1.754 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 178.6 166.86 35.44 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.843 ' HA ' HG23 ' A' ' 32' ' ' VAL . 34.7 t -76.02 96.33 3.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 0.721 . . . . 0.0 110.074 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' SER . 6.0 m-85 -37.57 -86.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -167.94 174.27 7.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.52 150.69 43.66 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.525 1.14 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.478 HG23 HD21 ' A' ' 72' ' ' LEU . 32.0 m -145.67 136.4 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.572 ' C ' HD22 ' A' ' 72' ' ' LEU . 2.7 m -92.34 128.25 38.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.096 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -102.57 173.68 6.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.57 -51.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.464 ' CG2' ' HA3' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -46.74 124.96 8.01 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 0.0 110.385 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.02 141.4 26.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.54 1.811 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.79 -179.24 19.43 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.1 t -103.68 121.54 43.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 0.741 . . . . 0.0 110.451 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.8 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.9 m-85 -97.7 135.1 39.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p -114.17 148.44 37.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.177 . . . . 0.0 110.002 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.489 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 1.9 p90 -153.03 174.74 13.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.969 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.559 ' CB ' HG12 ' A' ' 91' ' ' VAL . 16.3 p90 -164.01 157.43 18.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.392 1.058 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.25 131.13 35.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.593 1.183 . . . . 0.0 108.271 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.52 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -62.78 -50.58 76.97 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.5 Cg_endo -74.87 -49.01 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.5 1.789 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.492 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 29.8 m80 -88.05 44.48 1.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.639 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -81.63 -38.97 25.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.4 -30.47 16.17 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.26 -14.75 61.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 0.789 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 85.67 86.83 0.98 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.459 ' CG ' ' HA ' ' A' ' 15' ' ' LEU . 8.0 ttt -148.42 78.42 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 0.717 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.559 HG12 ' CB ' ' A' ' 81' ' ' TYR . 15.8 m -124.25 146.76 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.489 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -138.96 175.04 21.8 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.486 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 1.2 m -138.58 158.68 43.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 110.431 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.949 HD13 HG11 ' A' ' 29' ' ' VAL . 94.1 mt -146.13 128.0 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' ILE . 92.7 m -108.78 145.67 34.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.391 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.733 HG12 ' O ' ' A' ' 96' ' ' VAL . 3.1 t -128.82 77.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.706 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p 171.71 109.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 109.998 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.878 HG21 HD11 ' A' ' 21' ' ' LEU . 2.6 m -115.18 177.35 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -144.86 158.58 43.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -133.45 125.53 50.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 0.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.401 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 16.0 mttp -97.46 122.42 40.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.588 1.18 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.746 ' HE3' ' CE1' ' A' ' 16' ' ' TYR . 8.1 mtp -87.9 100.39 12.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.45 148.29 9.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.567 HG21 HD11 ' A' ' 15' ' ' LEU . 1.7 p -113.21 161.53 17.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 0.0 110.365 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.11 -13.19 33.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.45 ' HG3' ' CB ' ' A' ' 13' ' ' ALA . 4.9 ptpt -90.66 38.37 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 37.86 33.39 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.45 ' CB ' ' HG3' ' A' ' 11' ' ' LYS . . . -112.09 118.06 46.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.452 ' HG3' HG21 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -75.02 97.8 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.567 HD11 HG21 ' A' ' 9' ' ' THR . 1.3 pp -149.29 151.89 34.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.746 ' CE1' ' HE3' ' A' ' 7' ' ' MET . 27.7 m-85 -77.24 132.59 38.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 6.6 tt0 -132.83 131.18 21.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -75.01 158.47 98.97 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.035 0.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -39.62 62.32 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.71 147.56 48.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.878 HD11 HG21 ' A' ' 3' ' ' VAL . 8.4 tp -142.01 141.05 32.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.225 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.724 ' H ' HD12 ' A' ' 21' ' ' LEU . 9.7 t -129.93 143.21 50.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.804 HD12 ' HB2' ' A' ' 27' ' ' ASP . 11.6 pt -153.7 -174.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.379 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 p -122.9 171.18 9.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.579 1.174 . . . . 0.0 110.038 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.37 101.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.73 -4.13 7.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.804 ' HB2' HD12 ' A' ' 23' ' ' ILE . 9.8 m-20 -82.73 175.83 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 0.729 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.4 m -129.86 157.01 43.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.373 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.824 HG11 HD13 ' A' ' 94' ' ' ILE . 48.1 t -134.98 107.67 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -89.02 148.25 23.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 0.0 110.254 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.411 ' N ' ' OE2' ' A' ' 30' ' ' GLU . 61.6 m-85 -126.36 122.4 35.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.873 HG23 ' CB ' ' A' ' 66' ' ' SER . 2.2 p -128.08 139.2 52.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.363 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 45.7 mtp -86.49 113.44 22.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.34 -67.59 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.506 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -166.93 -164.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 35' ' ' LYS . 7.9 p 46.41 58.86 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.576 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -92.69 -171.64 40.78 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.453 ' HB3' HD13 ' A' ' 62' ' ' ILE . 18.3 Cg_endo -75.03 -171.2 9.06 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.94 0.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.576 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 90.1 m-70 -145.48 -171.34 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.635 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.543 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 38.1 p-10 179.77 -154.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 57' ' ' ASN . 90.0 t -152.93 98.51 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.573 HD13 ' HB2' ' A' ' 56' ' ' SER . 18.3 mm -120.03 77.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.453 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 96.7 m-85 -45.38 155.92 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 7.1 t0 -87.64 -54.23 4.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 3.2 mttp 169.32 147.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.062 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.925 ' HB ' ' HB2' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -128.07 163.09 46.08 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.872 ' HD2' HG22 ' A' ' 46' ' ' VAL . 18.4 Cg_endo -74.99 160.54 40.05 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.585 1.834 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -43.02 133.71 3.66 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.72 -49.68 0.88 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.79 -172.0 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.584 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -133.98 79.96 1.84 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.925 ' HB2' ' HB ' ' A' ' 46' ' ' VAL . . . -54.73 -52.62 68.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.248 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.786 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.03 51.17 2.73 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 110.995 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.584 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -157.65 -45.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.09 -17.17 64.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.241 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.573 ' HB2' HD13 ' A' ' 42' ' ' ILE . 2.0 p -53.59 148.13 10.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.973 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -115.53 112.39 22.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.2 t -90.3 23.63 2.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.407 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -108.82 74.59 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -50.75 113.85 1.01 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.74 110.69 15.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.453 HD13 ' HB3' ' A' ' 38' ' ' PRO . 40.4 mm -74.23 -50.41 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . . . -74.07 140.31 76.87 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 63' ' ' ALA . 18.1 Cg_endo -74.99 147.9 34.59 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.408 ' C ' ' HG ' ' A' ' 66' ' ' SER . . . 172.34 -110.37 0.34 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.873 ' CB ' HG23 ' A' ' 32' ' ' VAL . 2.5 m -168.3 106.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 0.741 . . . . 0.0 109.997 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.543 ' CZ ' ' HA ' ' A' ' 40' ' ' ASN . 24.0 m-85 -39.88 -87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.625 1.203 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.45 ' CE2' ' ND2' ' A' ' 57' ' ' ASN . 11.3 p90 -178.4 -178.08 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.45 159.21 21.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -150.19 143.43 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.2 m -98.99 141.7 31.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.8 mt -113.87 171.43 7.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -152.93 -50.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.412 ' HB ' ' OH ' ' A' ' 78' ' ' TYR . 1.2 m -50.96 126.56 25.48 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.45 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 141.38 26.65 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.07 -178.51 20.14 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 52.5 m -104.02 118.73 37.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.785 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.903 ' CD2' HG21 ' A' ' 46' ' ' VAL . 7.1 m-85 -91.82 134.18 34.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p -119.32 147.3 44.46 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.456 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 12.2 p90 -154.66 -170.78 3.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.484 ' HB3' HG12 ' A' ' 91' ' ' VAL . 8.2 p90 -178.82 169.57 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.56 151.27 21.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 108.274 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.45 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -76.56 -54.88 1.71 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.382 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.45 ' HD3' ' CB ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.04 -46.35 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.575 1.829 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.44 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 21.2 m80 -86.47 48.04 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.564 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -84.77 -23.71 29.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -102.42 -22.93 9.28 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.73 -12.31 58.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.17 53.9 3.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.487 ' HE1' ' HB3' ' A' ' 7' ' ' MET . 8.1 ttt -111.74 75.42 0.92 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.578 0.81 . . . . 0.0 111.075 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.484 HG12 ' HB3' ' A' ' 81' ' ' TYR . 17.4 m -122.43 147.67 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.456 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -142.24 -175.64 15.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.431 ' N ' ' CE1' ' A' ' 80' ' ' PHE . 1.6 m -149.95 160.91 43.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 110.351 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.824 HD13 HG11 ' A' ' 29' ' ' VAL . 81.7 mt -147.88 117.86 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 23' ' ' ILE . 18.6 m -101.49 146.01 28.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.756 HG12 ' O ' ' A' ' 96' ' ' VAL . 3.9 t -127.35 74.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.782 ' OXT' ' HG3' ' A' ' 97' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.464 ' HB1' ' CG ' ' A' ' 27' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 m -177.82 111.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.877 HG21 HD11 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -109.32 175.77 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.409 1.068 . . . . 0.0 109.249 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -141.65 159.33 42.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.331 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.524 ' HB ' ' CD2' ' A' ' 31' ' ' PHE . 9.2 mm -126.09 112.65 30.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.381 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.616 ' HG2' HG13 ' A' ' 32' ' ' VAL . 4.0 mtmt -91.13 136.42 33.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.497 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 9.5 mtm -105.38 98.2 7.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.432 1.083 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.05 149.61 8.39 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.547 1.154 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.751 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 6.7 p -115.4 152.07 33.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -58.67 -16.56 16.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -90.09 40.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' LYS . 76.6 m-85 37.7 51.89 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.587 1.18 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.751 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -130.94 116.92 17.04 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.44 ' HB2' ' CG ' ' A' ' 85' ' ' HIS . 18.1 Cg_endo -75.06 91.47 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.53 1.805 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.711 HD11 HG21 ' A' ' 9' ' ' THR . 2.7 pp -146.06 153.95 41.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.497 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 17.0 m-85 -80.13 125.27 29.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 43.8 tt0 -129.88 130.46 23.16 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.04 152.0 97.59 Favored 'Cis proline' 0 C--N 1.361 1.212 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.023 0.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -61.12 -36.81 80.74 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.429 1.081 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 19' ' ' LYS . . . -117.67 140.73 49.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.877 HD11 HG21 ' A' ' 3' ' ' VAL . 12.7 tp -145.39 143.03 29.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.508 ' H ' HD12 ' A' ' 21' ' ' LEU . 10.6 t -130.65 142.94 50.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.581 HG13 HG22 ' A' ' 96' ' ' VAL . 30.6 pt -151.82 -175.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.9 m -121.63 165.42 15.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.44 106.18 0.88 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.13 -8.56 8.52 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.436 1.085 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.501 ' HB2' HD12 ' A' ' 23' ' ' ILE . 6.2 m-20 -80.47 173.7 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.47 HG23 ' C ' ' A' ' 70' ' ' VAL . 36.1 m -126.85 158.8 35.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.773 HG11 HD13 ' A' ' 94' ' ' ILE . 71.6 t -136.21 112.17 12.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 5' ' ' ILE . 39.7 tt0 -88.32 167.96 13.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.524 ' CD2' ' HB ' ' A' ' 5' ' ' ILE . 80.1 m-85 -146.21 121.05 9.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 111.059 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.616 HG13 ' HG2' ' A' ' 6' ' ' LYS . 9.7 p -124.25 151.29 29.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.1 ttp -95.96 116.02 28.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.441 ' C ' ' HG3' ' A' ' 35' ' ' LYS . 1.7 m120 -74.82 -70.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.721 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -167.49 -167.05 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.721 HG12 ' O ' ' A' ' 35' ' ' LYS . 7.6 p 50.43 41.05 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.621 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -80.02 -171.11 42.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -166.76 5.13 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.997 0.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.621 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 82.5 m-70 -148.18 -170.58 3.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.664 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.568 ' ND2' HD12 ' A' ' 42' ' ' ILE . 10.1 p-10 -171.5 -178.63 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.6 t -132.69 88.73 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.568 HD12 ' ND2' ' A' ' 40' ' ' ASN . 70.0 mt -120.09 103.26 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.412 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 97.5 m-85 -68.94 157.59 36.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -85.45 -49.5 8.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.229 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER 167.25 149.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.97 HG11 ' CD2' ' A' ' 78' ' ' TYR . 28.4 m -128.71 158.66 71.47 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -75.05 163.35 35.39 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.53 1.805 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 47' ' ' PRO . . . -39.41 133.7 1.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 74' ' ' THR . . . 137.59 -65.61 0.55 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.456 1.098 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.04 -172.37 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.774 . . . . 0.0 110.289 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.0 m -129.65 77.66 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.569 1.168 . . . . 0.0 110.005 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.904 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -50.71 -51.87 61.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -74.99 50.76 2.61 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.18 -45.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.0 mt -69.34 -30.77 68.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 m -44.11 167.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.377 1.048 . . . . 0.0 109.966 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -169.8 110.63 0.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.133 . . . . 0.0 109.353 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 t -89.31 38.93 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.17 . . . . 0.0 110.402 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -98.63 72.02 1.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.39 108.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.601 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -99.33 107.31 19.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ALA . 7.4 tp -69.42 -47.58 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -39.9 100.23 0.21 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 62' ' ' ILE . 18.3 Cg_endo -74.93 132.03 15.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.441 1.759 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.498 ' O ' HG23 ' A' ' 32' ' ' VAL . . . 172.9 -79.46 0.08 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.113 . . . . 0.0 111.046 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.525 ' HA ' HG23 ' A' ' 32' ' ' VAL . 5.1 m -168.43 97.03 0.41 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.581 0.812 . . . . 0.0 109.991 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.601 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 5.1 m-85 -43.43 -85.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -175.91 177.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.8 ' O ' HG13 ' A' ' 70' ' ' VAL . 11.4 t -123.68 -179.4 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.8 HG13 ' O ' ' A' ' 69' ' ' SER . 2.7 m -163.25 139.31 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.478 ' C ' HD22 ' A' ' 72' ' ' LEU . 24.2 m -96.55 118.74 33.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.606 HD22 ' N ' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -98.92 173.53 6.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.684 ' O ' HG11 ' A' ' 96' ' ' VAL . . . -155.07 -59.93 0.01 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.466 ' CG2' ' HA3' ' A' ' 49' ' ' GLY . 1.2 m -38.85 131.56 1.13 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.596 0.821 . . . . 0.0 110.48 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 147.09 33.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 135.18 -178.77 18.31 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.576 1.173 . . . . 0.0 110.964 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.1 m -107.93 119.21 38.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 110.392 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.97 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.9 m-85 -93.99 133.6 37.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 p -116.73 148.64 40.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.564 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 6.7 p90 -151.27 -174.9 4.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.411 ' CZ ' HG22 ' A' ' 42' ' ' ILE . 17.3 p90 -170.82 164.68 7.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.23 150.82 23.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.228 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.487 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.6 OUTLIER -79.12 -52.46 1.19 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.0 Cg_endo -75.04 -46.91 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.44 ' CG ' ' HB2' ' A' ' 14' ' ' PRO . 23.3 m80 -89.51 49.16 1.7 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.557 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -83.33 -31.1 27.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.367 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.77 -21.53 18.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.13 -13.4 61.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 0.728 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.91 60.23 1.98 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.552 1.158 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.43 ' CG ' ' HA ' ' A' ' 15' ' ' LEU . 8.7 ttt -119.18 81.42 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.776 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.493 HG12 ' H ' ' A' ' 92' ' ' GLY . 0.8 OUTLIER -112.2 176.84 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.564 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -170.23 176.9 43.76 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.463 ' N ' ' CE1' ' A' ' 80' ' ' PHE . 1.7 m -153.15 162.03 41.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.773 HD13 HG11 ' A' ' 29' ' ' VAL . 56.1 mt -151.65 122.64 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' ILE . 95.7 m -104.22 146.6 28.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.387 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.752 HG12 ' O ' ' A' ' 96' ' ' VAL . 4.1 t -126.71 74.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 23' ' ' ILE . 1.9 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.234 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m 65.29 78.65 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.832 HG21 HD11 ' A' ' 21' ' ' LEU . 32.0 m -110.18 176.78 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -146.47 158.42 43.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.578 HD13 ' HD2' ' A' ' 18' ' ' PRO . 11.7 mm -123.42 111.65 30.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.58 ' HG2' HG13 ' A' ' 32' ' ' VAL . 7.0 mttp -89.14 142.36 27.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.421 ' HE1' ' HB3' ' A' ' 31' ' ' PHE . 12.5 mtm -110.28 100.13 9.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.07 154.74 11.2 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.847 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 2.0 p -117.88 156.54 28.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -58.28 -17.03 16.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.605 1.19 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 13' ' ' ALA . 9.2 mttt -90.12 41.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 38.25 30.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.847 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -101.58 112.49 65.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.604 ' HG3' HG11 ' A' ' 36' ' ' VAL . 18.3 Cg_endo -75.0 82.87 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.423 1.749 . . . . 0.0 111.058 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.475 HD23 ' HB1' ' A' ' 13' ' ' ALA . 3.7 pp -141.05 156.63 45.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.511 ' CD2' ' HG2' ' A' ' 90' ' ' MET . 9.4 m-85 -78.31 137.92 38.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.486 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 8.9 tt0 -142.34 131.37 11.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.578 ' HD2' HD13 ' A' ' 5' ' ' ILE . 18.5 Cg_endo -74.94 150.48 95.52 Favored 'Cis proline' 0 C--N 1.361 1.207 0 C-N-CA 121.032 -2.487 . . . . 0.0 110.996 -0.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -47.45 -40.07 17.23 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.573 1.171 . . . . 0.0 109.278 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.38 152.04 46.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.832 HD11 HG21 ' A' ' 3' ' ' VAL . 8.7 tp -144.69 143.54 30.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.759 ' H ' HD12 ' A' ' 21' ' ' LEU . 10.1 t -128.06 142.92 51.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.561 HG13 HG22 ' A' ' 96' ' ' VAL . 20.5 pt -152.84 -175.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.587 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 13.7 m -118.71 173.34 6.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 110.081 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.25 104.09 3.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.91 -5.2 9.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.468 ' HB2' HD12 ' A' ' 23' ' ' ILE . 17.2 m-20 -81.93 173.11 12.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.448 HG23 ' C ' ' A' ' 70' ' ' VAL . 32.4 m -123.09 158.24 31.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.445 1.091 . . . . 0.0 110.436 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.053 HG11 ' CD1' ' A' ' 94' ' ' ILE . 73.8 t -134.22 104.54 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 5' ' ' ILE . 3.3 tt0 -79.89 167.45 20.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.642 ' CE1' HG12 ' A' ' 29' ' ' VAL . 60.9 m-85 -147.51 127.97 14.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.672 HG23 ' HA ' ' A' ' 66' ' ' SER . 7.4 p -134.43 154.32 37.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 61' ' ' ALA . 16.9 mtp -98.96 110.32 22.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -69.36 -68.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' O ' ' NE2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -166.56 -167.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.087 . . . . 0.0 109.342 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.604 HG11 ' HG3' ' A' ' 14' ' ' PRO . 1.9 t 49.22 50.3 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.574 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -99.09 -167.57 30.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.158 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.447 ' HG3' ' CD1' ' A' ' 62' ' ' ILE . 18.3 Cg_endo -74.98 178.92 32.53 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.961 -2.516 . . . . 0.0 111.023 -0.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.574 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 33.7 m-70 -134.26 -171.05 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 2.1 p30 -175.56 166.55 3.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.437 ' CG1' ' CE1' ' A' ' 43' ' ' PHE . 92.6 t -109.46 108.55 25.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.572 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 4.5 mm -129.47 76.26 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CE1' ' CG1' ' A' ' 41' ' ' VAL . 75.7 m-85 -48.68 168.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.45 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 8.6 t0 -104.79 -50.15 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER 167.94 142.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.907 HG11 ' CD2' ' A' ' 78' ' ' TYR . 5.3 m -127.71 154.71 77.87 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.551 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -74.99 169.42 22.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 47' ' ' PRO . . . 74.02 -177.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.07 42.08 3.13 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.049 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.09 -172.83 2.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.257 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.681 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -123.83 74.44 1.28 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.03 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.837 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -77.17 -52.72 1.8 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.785 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -74.98 0.43 8.9 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.545 1.813 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.681 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -105.7 -35.93 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.2 mt -67.79 -39.95 83.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.12 126.5 14.7 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -127.83 130.46 48.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 t -89.5 20.16 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -88.31 65.14 7.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 39' ' ' HIS . 0.2 OUTLIER -54.93 131.38 44.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.4 ' O ' ' SD ' ' A' ' 33' ' ' MET . . . -91.32 123.54 34.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.447 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 5.8 mm -84.81 -45.39 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.419 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . . . -78.4 142.93 63.35 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 63' ' ' ALA . 18.2 Cg_endo -75.11 176.28 10.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.432 1.754 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.413 ' O ' HG23 ' A' ' 32' ' ' VAL . . . 138.26 -85.94 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.539 1.15 . . . . 0.0 111.015 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.672 ' HA ' HG23 ' A' ' 32' ' ' VAL . 22.3 p 178.4 106.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 0.757 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 66' ' ' SER . 1.0 OUTLIER -37.32 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.7 p90 177.68 173.95 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.424 ' CB ' ' HG3' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -116.37 155.46 28.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.056 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.448 ' C ' HG23 ' A' ' 28' ' ' THR . 0.6 OUTLIER -148.3 138.89 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.338 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 76.2 m -104.74 150.56 24.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.4 mt -117.28 170.95 8.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -156.63 34.35 0.58 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.452 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 47.0 m -151.38 135.52 9.68 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.642 0.848 . . . . 0.0 110.377 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.6 Cg_endo -74.94 151.43 39.85 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.426 1.751 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.63 -179.77 18.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.8 t -109.08 126.91 53.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.609 0.829 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.907 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.7 m-85 -106.92 131.05 54.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.9 t -110.8 163.44 13.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.576 ' CZ ' ' N ' ' A' ' 93' ' ' THR . 5.5 p90 -171.51 175.83 3.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.572 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 9.1 p90 -154.59 -173.18 4.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.526 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 9.9 t -133.47 96.13 3.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.462 1.101 . . . . 0.0 108.236 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.518 ' C ' ' O ' ' A' ' 82' ' ' CYS . 0.8 OUTLIER -28.99 -57.48 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.408 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.614 ' C ' ' CG ' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -74.93 131.98 15.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.068 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.614 ' CG ' ' C ' ' A' ' 84' ' ' PRO . 0.1 OUTLIER 80.3 -4.02 1.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.623 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 87' ' ' GLY . 17.7 ptt180 -41.31 -46.06 3.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.59 1.181 . . . . 0.0 110.313 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.428 ' N ' ' HG3' ' A' ' 86' ' ' ARG . . . -65.05 -36.81 93.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -63.15 -13.5 37.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.96 85.93 1.41 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.511 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 3.9 ttt -138.42 84.86 2.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 0.752 . . . . 0.0 111.092 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.5 m -120.74 159.82 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.233 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.475 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -156.24 172.6 34.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.614 1.196 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.576 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 2.5 m -153.72 163.47 39.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 0.734 . . . . 0.0 110.448 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.053 ' CD1' HG11 ' A' ' 29' ' ' VAL . 69.4 mt -148.63 129.44 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' ILE . 87.3 m -111.7 146.44 37.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 96' ' ' VAL . 20.3 t -125.0 73.04 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.587 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 1.1 mm-40 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m -126.35 148.11 49.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.873 HG21 HD21 ' A' ' 21' ' ' LEU . 26.3 m -109.7 177.59 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.27 157.97 43.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.47 ' HA ' HD13 ' A' ' 5' ' ' ILE . 4.1 mm -120.79 116.94 51.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.581 ' HG2' HG13 ' A' ' 32' ' ' VAL . 2.4 mtmp? -96.17 139.12 32.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.566 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 18.6 mtm -112.85 111.69 22.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.38 142.33 13.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.879 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 1.4 p -101.78 156.12 17.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 110.338 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -54.52 -19.7 6.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -89.4 40.49 0.99 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.407 ' C ' HG21 ' A' ' 36' ' ' VAL . 81.3 m-85 39.21 29.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.879 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -100.06 120.73 56.06 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.471 ' CD ' HG11 ' A' ' 36' ' ' VAL . 18.1 Cg_endo -75.16 103.19 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.728 HD11 ' CG2' ' A' ' 9' ' ' THR . 2.2 pp -163.21 149.46 12.1 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.444 1.09 . . . . 0.0 109.204 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.566 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 19.2 m-85 -79.71 131.69 36.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -125.24 126.02 25.18 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 176.09 44.9 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.076 -0.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -37.45 86.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.52 156.97 44.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.873 HD21 HG21 ' A' ' 3' ' ' VAL . 13.1 tp -146.9 147.17 30.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.627 ' H ' HD12 ' A' ' 21' ' ' LEU . 8.3 t -131.2 144.03 51.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.07 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.594 HD13 HG23 ' A' ' 29' ' ' VAL . 23.8 pt -153.79 -174.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.411 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 14.7 m -121.03 162.62 19.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.02 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.41 105.94 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.362 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.98 -8.31 8.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.402 ' HB2' HD12 ' A' ' 23' ' ' ILE . 5.0 m-20 -81.47 172.11 13.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 m -121.02 156.54 31.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.469 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.787 HG11 HD13 ' A' ' 94' ' ' ILE . 77.4 t -136.79 110.99 9.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 5' ' ' ILE . 21.6 tt0 -85.5 167.42 15.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.495 ' CE1' HG12 ' A' ' 29' ' ' VAL . 43.4 m-85 -143.39 118.01 9.8 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.86 HG23 ' HA ' ' A' ' 66' ' ' SER . 5.2 p -122.79 148.3 26.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.416 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 5.5 mtp -98.53 118.73 35.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.46 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.5 m120 -78.61 -65.77 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.28 -168.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.525 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 4.4 t 64.17 22.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.474 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -80.68 -171.39 44.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.552 1.157 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.06 166.34 83.52 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.968 0.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.525 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 58.8 m-70 -130.26 -147.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.56 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 172.52 -175.05 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 t -130.46 96.46 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.56 HG22 ' CE1' ' A' ' 81' ' ' TYR . 1.4 mm -121.07 90.49 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -54.14 161.06 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -97.51 -51.96 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 109.375 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.7 mttt 171.88 155.93 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.075 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.959 HG21 ' CD2' ' A' ' 78' ' ' TYR . 0.5 OUTLIER -134.44 163.67 49.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.853 ' HD2' HG22 ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.93 160.01 40.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -41.04 118.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.747 ' HA3' HG21 ' A' ' 74' ' ' THR . . . 153.5 -76.83 0.22 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.538 ' OE1' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -88.14 -172.65 3.9 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 0.782 . . . . 0.0 110.313 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.8 p -127.13 75.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.873 ' HB2' ' HB ' ' A' ' 46' ' ' VAL . . . -49.65 -51.49 59.12 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.762 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.01 50.74 2.61 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.582 1.833 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.46 -45.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.226 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.538 HD12 ' OE1' ' A' ' 50' ' ' GLU . 18.0 mt -66.61 -28.5 68.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.7 m -43.15 146.96 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -138.75 110.34 7.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.3 t -90.23 35.06 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.09 64.3 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -48.66 116.7 1.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.235 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.42 115.2 23.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.468 ' CB ' ' HB3' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -76.95 -41.11 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -44.72 109.01 0.81 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 130.07 12.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.23 38.96 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.86 ' HA ' HG23 ' A' ' 32' ' ' VAL . 34.1 t 61.31 94.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 0.801 . . . . 0.0 109.982 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.416 ' CD2' ' HG3' ' A' ' 33' ' ' MET . 0.4 OUTLIER -37.54 -79.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.1 p90 179.71 177.9 0.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 111.036 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.9 ' O ' HG13 ' A' ' 70' ' ' VAL . 12.6 t -126.87 179.81 5.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.9 HG13 ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -171.93 139.13 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.27 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 79.6 m -95.76 152.01 18.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.0 mt -120.1 170.98 8.8 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -158.65 37.95 0.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.153 . . . . 0.0 111.001 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.747 HG21 ' HA3' ' A' ' 49' ' ' GLY . 16.1 m -149.14 135.9 10.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.749 . . . . 0.0 110.383 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -74.99 147.21 33.64 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.393 1.733 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.66 -178.95 19.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.418 ' CG2' HG22 ' A' ' 93' ' ' THR . 39.2 m -113.43 116.25 29.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 110.439 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.959 ' CD2' HG21 ' A' ' 46' ' ' VAL . 63.7 m-85 -90.06 127.67 36.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.23 139.7 49.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -143.04 173.23 11.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CD1' ' HD2' ' A' ' 86' ' ' ARG . 6.1 p90 -159.71 166.33 30.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.77 149.28 27.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.262 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.473 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -78.91 -53.08 1.18 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.48 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.0 Cg_endo -75.11 -39.72 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.461 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 48.9 m80 -93.57 35.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.624 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -72.24 -11.22 60.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -112.18 -28.19 3.67 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.461 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . . . -62.96 -27.8 69.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.94 58.66 0.87 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.544 1.152 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 14' ' ' PRO . 4.7 mtp -115.55 86.14 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.482 HG12 ' HB3' ' A' ' 81' ' ' TYR . 30.4 m -120.67 161.81 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.568 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -149.51 153.47 25.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.418 HG22 ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -126.99 154.18 44.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.358 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.787 HD13 HG11 ' A' ' 29' ' ' VAL . 78.8 mt -149.09 126.17 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 23' ' ' ILE . 90.2 m -105.93 144.66 32.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.351 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.735 HG12 ' O ' ' A' ' 96' ' ' VAL . 6.0 t -127.32 72.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.245 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 p -49.75 168.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.059 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.961 HG21 HD11 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -115.27 174.1 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -146.29 145.31 30.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.507 ' HA ' HD13 ' A' ' 5' ' ' ILE . 3.3 mm -105.5 110.31 30.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.348 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.656 ' HG2' HG13 ' A' ' 32' ' ' VAL . 2.1 mtmt -85.75 141.17 29.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.411 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 1.8 mpp? -115.99 104.87 12.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 111.03 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 104.48 135.33 8.4 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.796 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 5.0 p -92.11 159.21 15.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 0.803 . . . . 0.0 110.458 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -62.84 -12.93 27.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -90.98 31.17 1.11 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 47.6 34.57 3.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.092 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.796 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -110.18 124.95 32.06 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 105.8 2.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.422 1.748 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.27 170.11 21.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 7' ' ' MET . 9.2 m-85 -100.72 125.6 47.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -122.56 125.72 26.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.232 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 174.35 53.12 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.983 -0.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -63.86 -37.49 87.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.15 151.38 51.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.961 HD11 HG21 ' A' ' 3' ' ' VAL . 13.1 tp -139.45 139.43 37.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.424 1.077 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.529 ' H ' HD12 ' A' ' 21' ' ' LEU . 14.1 t -128.79 141.84 51.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.662 HD12 ' HB2' ' A' ' 27' ' ' ASP . 13.3 pt -152.22 -175.71 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.8 m -120.27 159.81 24.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.55 105.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.44 -8.02 8.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.662 ' HB2' HD12 ' A' ' 23' ' ' ILE . 6.3 m-20 -82.24 173.08 12.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 0.791 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.6 m -122.61 153.91 38.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 110.352 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.549 HG23 HD13 ' A' ' 23' ' ' ILE . 89.8 t -134.3 105.52 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -80.21 170.08 16.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -144.74 114.12 7.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.656 HG13 ' HG2' ' A' ' 6' ' ' LYS . 9.4 p -118.02 146.2 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.082 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.1 ttp -97.31 119.51 35.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.5 m120 -78.57 -66.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.457 ' HG2' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -175.92 -168.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.518 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 3.8 t 65.42 21.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.511 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -75.18 -176.08 37.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.749 ' HB3' HD13 ' A' ' 62' ' ' ILE . 18.4 Cg_endo -74.88 171.68 66.75 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.066 -2.472 . . . . 0.0 111.03 -0.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.548 ' O ' HD23 ' A' ' 60' ' ' LEU . 75.2 m-70 -136.66 -150.22 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.582 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.466 ' ND2' HD12 ' A' ' 42' ' ' ILE . 9.6 p-10 -178.73 178.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.748 ' O ' HG12 ' A' ' 41' ' ' VAL . 50.2 t -131.14 54.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.712 HD12 ' OG1' ' A' ' 83' ' ' THR . 61.2 mt -82.52 93.87 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.539 ' CE2' HG12 ' A' ' 41' ' ' VAL . 91.3 m-85 -61.98 147.62 46.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.4 t70 -74.58 -55.67 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 52' ' ' ALA . 5.1 mttt 166.6 148.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.937 HG13 ' HB2' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -121.25 173.06 4.21 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.432 ' O ' HG23 ' A' ' 46' ' ' VAL . 18.2 Cg_endo -74.94 159.02 42.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.538 1.81 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -42.03 131.4 3.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.499 ' HA3' HG21 ' A' ' 74' ' ' THR . . . 140.28 -69.32 0.47 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.422 1.076 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.645 ' OE1' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -83.89 -173.53 4.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 0.783 . . . . 0.0 110.304 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.513 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -127.43 76.54 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.033 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.937 ' HB2' HG13 ' A' ' 46' ' ' VAL . . . -48.41 -49.94 60.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.07 51.03 2.7 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.398 1.736 . . . . 0.0 110.94 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.513 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -157.22 -45.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.645 HD12 ' OE1' ' A' ' 50' ' ' GLU . 16.0 mt -71.2 -34.81 71.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.52 1.138 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.63 136.96 38.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 57' ' ' ASN . 23.6 p-10 -138.21 104.9 5.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.591 ' HA ' HD11 ' A' ' 42' ' ' ILE . 9.0 t -66.18 -18.42 65.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.383 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.6 tttt -53.21 91.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 39' ' ' HIS . 4.9 mt -57.9 108.9 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 109.232 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.82 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -70.76 100.58 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.749 HD13 ' HB3' ' A' ' 38' ' ' PRO . 18.4 mm -74.93 -53.34 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.81 111.45 4.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.22 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 163.66 34.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.22 -62.99 0.45 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.422 1.076 . . . . 0.0 111.032 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.05 101.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 0.747 . . . . 0.0 109.948 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.82 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 1.8 m-85 -38.23 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.1 p90 173.23 173.38 0.13 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.499 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -116.94 157.04 26.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 110.001 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 69' ' ' SER . 2.6 m -153.89 138.45 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.437 ' C ' HD22 ' A' ' 72' ' ' LEU . 1.9 m -94.37 127.3 40.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.422 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.484 ' N ' ' CD2' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -101.65 171.94 7.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.547 ' O ' HG11 ' A' ' 96' ' ' VAL . . . -151.8 -64.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.499 HG21 ' HA3' ' A' ' 49' ' ' GLY . 17.1 m -39.14 129.0 1.27 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 110.375 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.0 Cg_endo -75.08 141.49 26.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.454 1.765 . . . . 0.0 111.001 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.58 -178.27 23.44 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.3 m -110.42 111.77 23.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.439 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.649 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.0 m-85 -83.97 136.63 33.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.84 139.38 53.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.941 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.627 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -140.39 169.51 17.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.826 ' HB3' HG12 ' A' ' 91' ' ' VAL . 7.8 p90 -158.76 161.15 36.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -81.09 151.06 28.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 108.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.712 ' OG1' HD12 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -79.79 -54.08 0.94 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.02 -40.66 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.581 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 49.0 m80 -92.04 35.01 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.458 ' HD2' ' CE1' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -68.55 -19.32 64.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -104.68 -26.74 6.31 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.581 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . . . -63.47 -22.89 67.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 0.729 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.17 54.39 1.87 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.4 mtp -109.03 81.47 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.58 0.812 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.826 HG12 ' HB3' ' A' ' 81' ' ' TYR . 27.3 m -130.06 146.78 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.551 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -128.54 -168.29 12.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.108 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.577 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -155.32 146.05 22.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.409 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.715 HG12 HD23 ' A' ' 21' ' ' LEU . 18.1 mt -139.31 123.5 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 23' ' ' ILE . 25.4 m -104.63 142.64 34.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.419 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 96' ' ' VAL . 3.3 t -127.72 76.5 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.363 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m 66.73 90.65 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.056 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.863 HG21 HD11 ' A' ' 21' ' ' LEU . 12.4 m -116.42 177.28 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -146.53 159.39 43.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.473 ' HA ' HD13 ' A' ' 5' ' ' ILE . 8.7 mm -122.49 117.49 52.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.546 ' HG2' HG13 ' A' ' 32' ' ' VAL . 5.1 mttt -97.72 135.65 39.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.571 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 10.6 mtm -108.96 99.79 9.07 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.56 1.162 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.51 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 109.72 140.54 8.81 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.776 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 2.1 p -101.73 160.72 14.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.359 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.62 -18.09 10.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' ALA . 5.4 mtmt -89.86 39.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 37.99 29.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.776 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -99.72 119.28 60.26 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.473 ' HG3' HG21 ' A' ' 36' ' ' VAL . 18.3 Cg_endo -75.0 95.97 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.617 1.851 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.713 HD11 ' CG2' ' A' ' 9' ' ' THR . 3.0 pp -153.72 150.31 28.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.571 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 7.4 m-85 -79.99 128.72 33.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.545 ' OE1' HG22 ' A' ' 9' ' ' THR . 22.4 tt0 -127.28 128.75 24.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.98 161.42 94.88 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.044 -0.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -53.06 -39.32 63.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.81 153.46 48.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.863 HD11 HG21 ' A' ' 3' ' ' VAL . 9.0 tp -144.17 142.98 30.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.862 ' HA ' HG22 ' A' ' 95' ' ' THR . 20.4 t -130.41 140.71 50.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.573 HG13 HG22 ' A' ' 96' ' ' VAL . 14.1 pt -148.07 -174.53 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.997 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 7.3 m -123.87 169.86 11.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.58 105.39 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.351 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.0 -7.63 9.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.436 1.085 . . . . 0.0 111.069 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.42 ' HB2' HD12 ' A' ' 23' ' ' ILE . 5.1 m-20 -83.07 171.65 13.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 0.786 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.495 HG23 ' C ' ' A' ' 70' ' ' VAL . 27.0 m -127.0 157.55 39.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.72 HG11 HD13 ' A' ' 94' ' ' ILE . 45.3 t -135.13 113.52 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.8 OUTLIER -83.89 167.03 17.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -141.92 128.6 20.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.752 HG23 ' HA ' ' A' ' 66' ' ' SER . 4.3 p -136.8 148.92 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.37 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -98.96 123.93 43.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.4 m120 -81.09 -63.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.523 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -175.1 -163.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.358 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.606 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 11.3 p 47.08 52.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.462 ' HA2' ' NE2' ' A' ' 39' ' ' HIS . . . -108.91 -160.89 19.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.522 1.138 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.483 ' CB ' HD13 ' A' ' 62' ' ' ILE . 18.4 Cg_endo -74.94 179.27 31.17 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.064 -2.473 . . . . 0.0 111.065 -0.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.606 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 19.2 m-70 -136.33 -154.04 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.626 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.434 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 1.1 p30 167.59 163.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.152 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 56' ' ' SER . 99.1 t -103.8 99.88 9.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.759 HD11 ' HA ' ' A' ' 58' ' ' THR . 8.7 mm -116.03 68.59 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 50.1 m-85 -36.87 155.83 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -94.85 -50.55 5.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 mttt 169.97 144.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 1.061 HG22 ' HB2' ' A' ' 52' ' ' ALA . 12.2 m -129.16 157.76 75.01 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 175.43 11.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 111.062 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.475 ' CB ' HG21 ' A' ' 74' ' ' THR . . . 64.07 -178.08 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.88 42.47 3.11 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 111.046 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.15 -171.52 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 0.745 . . . . 0.0 110.221 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.528 ' CB ' ' HB3' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -119.28 72.93 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.953 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 1.061 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -76.13 -52.3 2.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.793 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -75.03 0.41 8.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.044 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.528 ' HB3' ' CB ' ' A' ' 51' ' ' SER . . . -107.22 -42.06 4.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.49 ' HB3' ' CE2' ' A' ' 43' ' ' PHE . 6.2 mt -59.68 -36.16 75.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 0.3 OUTLIER -49.03 103.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.031 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.85 91.07 7.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.759 ' HA ' HD11 ' A' ' 42' ' ' ILE . 41.2 p -53.53 -19.57 3.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.175 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -55.55 88.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 58' ' ' THR . 0.2 OUTLIER -68.08 142.82 55.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.426 ' HB2' ' CE1' ' A' ' 67' ' ' PHE . . . -99.67 113.26 25.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.559 HD11 HD12 ' A' ' 60' ' ' LEU . 5.2 mm -83.07 -49.63 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.364 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.67 142.97 28.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 133.25 16.31 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 66' ' ' SER . . . 176.1 37.75 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.752 ' HA ' HG23 ' A' ' 32' ' ' VAL . 0.3 OUTLIER 53.44 103.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.595 0.821 . . . . 0.0 110.008 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -37.57 -77.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -178.62 175.98 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 111.049 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.76 153.05 29.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.495 ' C ' HG23 ' A' ' 28' ' ' THR . 2.6 m -147.59 143.16 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.399 1.062 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.2 m -107.83 146.28 32.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.4 mt -120.96 172.9 7.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . -151.04 -64.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.475 HG21 ' CB ' ' A' ' 48' ' ' ALA . 23.4 m -51.18 135.51 30.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.439 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 74' ' ' THR . 18.5 Cg_endo -74.96 145.84 32.1 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.458 1.767 . . . . 0.0 110.971 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 95' ' ' THR . . . 147.99 179.85 24.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.1 m -113.61 115.33 27.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.76 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.958 ' CD2' HG11 ' A' ' 46' ' ' VAL . 7.4 m-85 -89.13 135.87 33.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.17 136.32 54.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.637 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -135.91 172.51 12.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.946 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.647 ' HB3' HG12 ' A' ' 91' ' ' VAL . 7.2 p90 -156.79 160.32 39.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.37 141.29 32.94 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.544 1.153 . . . . 0.0 108.328 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.577 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.6 OUTLIER -79.28 -47.12 1.61 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.04 -46.65 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.838 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 62.5 m80 -87.66 13.37 10.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.643 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 2.4 ttt180 -45.56 -25.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.59 1.181 . . . . 0.0 110.26 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.64 -27.47 9.05 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.838 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . . . -62.96 -23.81 67.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.2 53.59 2.15 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.484 1.115 . . . . 0.0 111.102 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 14' ' ' PRO . 12.3 mtp -110.66 104.68 13.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.647 HG12 ' HB3' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -140.8 155.7 22.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.38 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.57 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -142.35 170.28 25.11 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.41 ' C ' HG13 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -134.1 150.72 51.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 110.406 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.72 HD13 HG11 ' A' ' 29' ' ' VAL . 80.5 mt -149.68 111.37 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.862 HG22 ' HA ' ' A' ' 22' ' ' SER . 15.2 t -100.07 155.61 17.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.575 1.172 . . . . 0.0 110.478 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.76 HG12 ' O ' ' A' ' 96' ' ' VAL . 5.4 t -129.95 72.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.997 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -100.01 120.85 40.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.952 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.776 HG21 HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -110.35 177.56 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.244 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -140.17 161.12 38.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.615 HD11 HD22 ' A' ' 21' ' ' LEU . 7.2 mm -123.09 119.19 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.566 1.166 . . . . 0.0 109.226 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.494 ' HG2' HG13 ' A' ' 32' ' ' VAL . 2.5 mtmt -95.27 129.01 42.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.515 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 3.3 mpp? -104.68 99.79 9.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 109.56 139.53 8.5 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.443 1.089 . . . . 0.0 110.949 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.856 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 8.6 p -99.89 159.75 14.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.435 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.13 -18.34 9.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.223 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -89.52 39.24 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 38.79 29.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.856 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -98.73 119.85 60.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.455 ' HG3' HG21 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -74.91 98.08 1.12 Allowed 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.437 1.757 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.755 HD11 ' CG2' ' A' ' 9' ' ' THR . 2.2 pp -157.13 150.87 24.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.515 ' CE1' ' HG3' ' A' ' 7' ' ' MET . 11.1 m-85 -80.3 129.32 34.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 22.7 tt0 -128.27 125.32 23.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.416 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.02 -178.09 22.45 Favored 'Cis proline' 0 C--N 1.361 1.217 0 C-N-CA 121.016 -2.493 . . . . 0.0 110.999 -0.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -36.7 70.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.47 160.81 40.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.802 ' CD2' HG23 ' A' ' 94' ' ' ILE . 1.9 pt? -156.45 152.64 27.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.9 t -121.77 148.09 45.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.994 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.691 HD12 ' HB2' ' A' ' 27' ' ' ASP . 5.2 pt -146.04 172.17 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.409 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -108.65 148.92 29.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 110.062 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.02 105.88 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.45 -8.69 9.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.621 1.2 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.691 ' HB2' HD12 ' A' ' 23' ' ' ILE . 13.1 m-20 -77.42 177.86 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.8 m -130.38 156.78 44.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.648 HG12 ' CE1' ' A' ' 31' ' ' PHE . 89.6 t -128.29 109.54 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.279 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -87.32 167.24 14.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.648 ' CE1' HG12 ' A' ' 29' ' ' VAL . 42.5 m-85 -147.05 121.48 9.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.494 HG13 ' HG2' ' A' ' 6' ' ' LYS . 9.3 p -122.43 152.01 26.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.433 ' CE ' ' HA ' ' A' ' 35' ' ' LYS . 1.7 ttp -100.01 123.93 44.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.4 m120 -83.72 -64.44 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.555 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -171.53 -165.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.614 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 13.0 p 47.63 49.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.468 ' HA2' ' NE2' ' A' ' 39' ' ' HIS . . . -107.31 -164.77 21.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.462 1.101 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HA ' ' HA3' ' A' ' 37' ' ' GLY . 18.3 Cg_endo -74.99 -176.34 17.87 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.953 -2.52 . . . . 0.0 111.055 -0.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.614 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 26.4 m-70 -139.6 -150.32 0.32 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.537 1.148 . . . . 0.0 109.597 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.6 OUTLIER 167.36 160.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 56' ' ' SER . 16.9 t -99.9 99.72 9.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.558 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 2.5 mm -111.75 68.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' ILE . 17.9 m-85 -36.53 155.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -99.7 -58.59 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 176.18 148.8 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.965 HG12 ' HB2' ' A' ' 52' ' ' ALA . 11.9 p -141.19 140.96 21.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.704 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 18.2 Cg_endo -75.04 171.39 18.41 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 47' ' ' PRO . . . 84.14 42.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . 30.55 51.73 0.21 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.52 -171.49 2.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.822 ' HB2' ' HB3' ' A' ' 54' ' ' ALA . 19.7 p -116.19 71.29 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.007 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.965 ' HB2' HG12 ' A' ' 46' ' ' VAL . . . -76.46 -49.95 2.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.708 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.07 0.8 8.49 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.545 1.813 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.822 ' HB3' ' HB2' ' A' ' 51' ' ' SER . . . -107.46 -22.16 12.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.32 -33.24 37.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 0.3 OUTLIER -49.19 121.41 4.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.05 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.52 118.14 32.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.6 t -88.58 40.52 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -100.84 70.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.524 ' O ' HD12 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -41.97 104.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.831 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -85.62 99.0 10.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 62' ' ' ILE . 2.8 mp -74.21 -53.83 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.5 113.18 3.04 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.38 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.08 13.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.519 1.799 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 66' ' ' SER . . . 172.29 -55.11 0.17 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.554 1.159 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.459 ' HA ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER 163.65 101.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.983 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.831 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 6.0 m-85 -37.79 -86.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -168.07 174.7 7.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.82 157.13 24.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.2 137.31 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.375 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.8 m -102.81 151.09 22.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.432 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.789 HD22 ' CE2' ' A' ' 78' ' ' TYR . 12.1 mt -123.04 173.53 7.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -147.74 -44.92 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.564 ' CG2' ' HB1' ' A' ' 48' ' ' ALA . 4.8 m -74.28 138.53 75.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 110.376 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 74' ' ' THR . 18.1 Cg_endo -75.08 153.62 41.52 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.458 1.767 . . . . 0.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.15 -178.68 19.33 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 94' ' ' ILE . 54.1 m -108.51 123.13 48.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.57 0.806 . . . . 0.0 110.415 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.789 ' CE2' HD22 ' A' ' 72' ' ' LEU . 6.8 m-85 -101.58 130.54 47.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.591 1.182 . . . . 0.0 111.056 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.0 t -119.43 162.85 18.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 109.971 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.584 ' CZ ' ' HA3' ' A' ' 92' ' ' GLY . 2.2 p90 -157.39 179.43 9.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.723 ' HB3' HG12 ' A' ' 91' ' ' VAL . 12.7 p90 -160.39 166.99 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.37 143.78 26.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 108.282 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.553 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -79.72 -48.57 1.4 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.407 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.4 Cg_endo -74.97 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.45 1.763 . . . . 0.0 111.032 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.844 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 65.7 m80 -86.4 11.14 13.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.657 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.568 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 4.2 ttt180 -44.82 -25.88 0.34 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.095 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -99.01 -27.15 8.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.416 1.072 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.844 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . . . -62.7 -24.35 67.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.01 54.3 1.77 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.537 1.148 . . . . 0.0 111.054 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.425 ' CG ' ' O ' ' A' ' 14' ' ' PRO . 10.4 mtp -112.01 98.2 7.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.723 HG12 ' HB3' ' A' ' 81' ' ' TYR . 4.1 m -140.31 151.42 21.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.584 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -136.0 -171.38 12.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.509 ' O ' HD23 ' A' ' 21' ' ' LEU . 3.6 m -154.72 165.28 37.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.757 . . . . 0.0 110.304 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.802 HG23 ' CD2' ' A' ' 21' ' ' LEU . 1.1 mt -151.08 165.45 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' ILE . 23.3 m -143.43 138.83 29.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 96' ' ' VAL . 9.6 t -125.37 81.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.409 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.0 m -67.24 147.74 52.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 109.949 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.833 HG21 HD11 ' A' ' 21' ' ' LEU . 23.2 m -116.19 176.63 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -141.73 153.46 44.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.776 HD13 ' HD2' ' A' ' 18' ' ' PRO . 10.7 mm -124.89 113.04 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.682 ' HG2' HG13 ' A' ' 32' ' ' VAL . 6.9 mttp -89.17 133.48 34.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 mtm -100.79 106.12 17.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.52 156.84 20.04 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.561 1.163 . . . . 0.0 111.078 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.678 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -120.02 158.83 25.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.779 . . . . 0.0 110.399 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -62.25 -14.16 35.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -90.35 40.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.231 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER 37.34 40.57 0.21 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.678 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -114.15 112.59 46.84 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.608 ' HG3' HG11 ' A' ' 36' ' ' VAL . 18.2 Cg_endo -75.02 77.75 3.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 pp -137.59 158.12 45.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.417 ' N ' ' HG3' ' A' ' 90' ' ' MET . 5.6 m-85 -77.59 142.21 39.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 32.2 tt0 -148.45 125.81 5.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.776 ' HD2' HD13 ' A' ' 5' ' ' ILE . 18.4 Cg_endo -75.03 166.97 81.85 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.076 -2.468 . . . . 0.0 111.008 0.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -39.06 79.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.52 146.95 45.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.874 HD23 HG12 ' A' ' 94' ' ' ILE . 13.3 tp -145.78 144.55 30.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.51 ' H ' HD12 ' A' ' 21' ' ' LEU . 7.3 t -130.56 145.41 51.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.026 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.591 HG13 HG22 ' A' ' 96' ' ' VAL . 13.4 pt -154.43 -175.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.611 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 7.4 m -122.83 170.44 10.09 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.488 1.118 . . . . 0.0 109.926 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.42 105.57 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.31 -7.92 8.5 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.562 ' HB2' HD12 ' A' ' 23' ' ' ILE . 5.3 m-20 -80.8 173.54 12.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 m -126.6 154.3 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.373 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.96 HG11 HD13 ' A' ' 94' ' ' ILE . 73.1 t -130.21 100.72 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.6 OUTLIER -80.51 164.05 23.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.54 ' CE1' HG12 ' A' ' 29' ' ' VAL . 74.9 m-85 -143.58 123.42 13.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.682 HG13 ' HG2' ' A' ' 6' ' ' LYS . 7.5 p -130.09 148.62 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.473 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 6.8 mtp -92.02 118.84 31.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.466 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 1.5 m120 -78.74 -65.8 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.44 -170.37 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.608 HG11 ' HG3' ' A' ' 14' ' ' PRO . 1.8 t 48.69 58.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.473 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -114.16 -164.71 15.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.079 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.417 ' HA ' ' HA3' ' A' ' 37' ' ' GLY . 18.3 Cg_endo -74.97 -178.57 23.83 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.035 0.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.572 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 8.8 m-70 -134.86 -165.44 1.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.628 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 3.0 p30 -172.49 166.54 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.734 ' O ' HD13 ' A' ' 42' ' ' ILE . 99.7 t -109.09 113.82 45.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.734 HD13 ' O ' ' A' ' 41' ' ' VAL . 7.1 mm -136.85 74.08 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.413 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 78.5 m-85 -48.42 162.93 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -92.33 -65.71 0.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.671 ' HA ' ' HB1' ' A' ' 52' ' ' ALA . 3.0 mtmt -171.05 155.06 4.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.84 HG11 ' CZ ' ' A' ' 78' ' ' TYR . 71.4 t -134.45 143.57 47.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.717 ' HD2' HG13 ' A' ' 46' ' ' VAL . 18.3 Cg_endo -75.01 178.97 6.56 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.445 1.761 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.739 ' HB3' HG21 ' A' ' 74' ' ' THR . . . 71.64 -175.25 0.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.138 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.47 42.51 3.16 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.97 -172.55 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 110.291 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 m -124.0 75.21 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.972 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.846 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . . . -63.11 -54.12 48.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.846 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.97 50.75 2.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.464 1.771 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.55 -45.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.04 -26.11 65.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.19 126.23 29.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.975 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' VAL . 28.6 t-20 -118.81 111.7 18.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.391 1.057 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.692 ' HA ' HD11 ' A' ' 42' ' ' ILE . 8.9 t -86.87 44.32 1.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -113.87 76.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.216 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.53 123.95 8.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.703 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -114.3 121.78 44.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 63' ' ' ALA . 9.5 tp -83.43 -46.11 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -39.32 99.74 0.2 Allowed Pre-proline 0 C--N 1.323 -0.563 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.05 135.3 18.81 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.577 1.83 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.57 -57.69 0.22 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.679 ' HA ' HG23 ' A' ' 32' ' ' VAL . 6.2 t 168.45 98.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.703 ' CE1' ' HB3' ' A' ' 61' ' ' ALA . 2.0 m-85 -37.45 -84.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.463 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 16.2 p90 -170.74 174.48 4.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.77 154.92 35.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.949 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.0 m -143.57 136.51 24.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.5 m -98.06 122.73 41.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 110.448 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.601 HD12 ' CE2' ' A' ' 78' ' ' TYR . 0.9 OUTLIER -98.66 172.78 7.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.229 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.582 ' O ' HG11 ' A' ' 96' ' ' VAL . . . -150.46 -66.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.739 HG21 ' HB3' ' A' ' 48' ' ' ALA . 20.3 m -38.66 128.76 1.14 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.489 0.758 . . . . 0.0 110.404 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.1 Cg_endo -75.03 141.37 26.48 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.5 -179.69 21.55 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.1 m -103.52 126.45 50.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 110.453 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.84 ' CZ ' HG11 ' A' ' 46' ' ' VAL . 5.6 m-85 -101.42 140.16 36.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 111.058 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 p -119.13 148.15 43.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.598 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 8.3 p90 -157.54 179.92 8.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.564 ' CE1' ' HB ' ' A' ' 42' ' ' ILE . 16.7 p90 -161.65 178.07 9.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.955 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.534 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 10.3 t -125.63 97.02 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 108.241 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.531 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -28.85 -57.92 0.25 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.454 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.584 ' C ' ' CG ' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -74.96 127.68 10.9 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.58 1.832 . . . . 0.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.584 ' CG ' ' C ' ' A' ' 84' ' ' PRO . 0.7 OUTLIER 84.09 -0.39 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.622 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.5 ptt85 -42.48 -41.59 3.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.99 -33.47 59.64 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -63.55 -13.47 41.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.18 79.39 1.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.536 1.148 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' A' ' 14' ' ' PRO . 3.5 ttt -133.04 79.12 1.82 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 0.772 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.11 148.07 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.598 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -148.69 159.5 28.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.646 1.216 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.407 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 1.4 m -134.78 160.01 39.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.745 . . . . 0.0 110.428 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.96 HD13 HG11 ' A' ' 29' ' ' VAL . 94.8 mt -144.87 131.51 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' ILE . 92.5 m -113.62 146.75 39.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.748 HG12 ' O ' ' A' ' 96' ' ' VAL . 2.9 t -127.26 78.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.202 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.611 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 1.3 tm-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m 64.47 78.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 110.0 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.922 HG21 HD11 ' A' ' 21' ' ' LEU . 17.6 m -112.41 175.41 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.624 1.202 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -144.55 159.68 42.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 30' ' ' GLU . 6.0 mm -124.67 118.98 54.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.551 ' HG2' HG13 ' A' ' 32' ' ' VAL . 7.6 mttt -96.45 140.0 31.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.453 ' HE1' ' CD2' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -113.09 97.77 6.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.21 151.43 8.56 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.934 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 1.8 p -118.99 154.98 32.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.444 0.732 . . . . 0.0 110.351 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.62 -17.63 15.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.1 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.96 41.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 38.25 34.82 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.934 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -106.35 110.42 63.87 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.428 ' C ' ' SD ' ' A' ' 90' ' ' MET . 18.2 Cg_endo -75.06 78.21 2.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.438 1.757 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.418 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.3 pp -135.41 161.37 35.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.065 . . . . 0.0 109.328 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.462 ' CD2' ' HG2' ' A' ' 90' ' ' MET . 5.7 m-85 -79.18 143.06 35.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 12.0 tt0 -146.06 126.57 7.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.43 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.0 164.89 87.36 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.961 -2.516 . . . . 0.0 111.013 -0.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -39.1 86.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.46 149.73 44.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.922 HD11 HG21 ' A' ' 3' ' ' VAL . 11.2 tp -140.68 140.73 34.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.665 ' H ' HD12 ' A' ' 21' ' ' LEU . 9.5 t -129.7 143.0 50.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.585 HD12 ' HB2' ' A' ' 27' ' ' ASP . 16.1 pt -154.88 -176.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 m -121.42 165.47 15.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.07 104.13 0.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.74 -6.81 7.88 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.585 ' HB2' HD12 ' A' ' 23' ' ' ILE . 8.3 m-20 -83.22 173.04 11.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 m -123.71 153.81 40.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.544 HG13 ' CD2' ' A' ' 21' ' ' LEU . 79.0 t -132.9 103.1 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.214 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -80.81 168.76 18.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 110.285 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -145.22 121.66 11.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.681 HG23 ' HA ' ' A' ' 66' ' ' SER . 4.5 p -127.98 144.46 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.409 ' SD ' ' CE2' ' A' ' 67' ' ' PHE . 7.1 mtp -91.05 105.88 18.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' OD1' ' CD ' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -55.01 -69.73 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.573 1.171 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.594 ' O ' HG12 ' A' ' 36' ' ' VAL . 1.9 pttt -169.49 -163.46 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 35' ' ' LYS . 12.1 p 47.68 41.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.572 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -86.92 -168.9 45.38 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.5 1.125 . . . . 0.0 111.046 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.525 ' CG ' HD13 ' A' ' 60' ' ' LEU . 18.6 Cg_endo -74.98 -179.42 26.58 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.006 -0.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.572 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 63.7 m-70 -133.47 -170.32 2.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 109.614 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.495 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.3 t-20 -145.36 -161.36 1.29 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.698 ' O ' HG12 ' A' ' 41' ' ' VAL . 57.2 t -155.98 55.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.368 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.425 HD11 ' ND2' ' A' ' 40' ' ' ASN . 12.2 mm -91.53 124.93 44.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.485 ' HA ' ' CB ' ' A' ' 80' ' ' PHE . 83.0 m-85 -88.68 172.22 9.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -97.86 -59.33 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.81 143.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.997 ' CG1' ' HB2' ' A' ' 52' ' ' ALA . 4.0 m -122.33 158.99 54.28 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 161.18 39.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.88 120.82 1.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.244 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 145.05 -70.59 0.38 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.755 ' HB3' HG21 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -85.73 -176.21 5.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 0.725 . . . . 0.0 110.296 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.4 m -130.54 77.73 1.8 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.038 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.997 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . . . -59.09 -52.69 72.94 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.783 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.6 Cg_endo -74.9 50.89 2.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 111.044 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -160.3 -44.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.486 ' CD1' ' OE2' ' A' ' 50' ' ' GLU . 11.6 mt -68.18 -23.53 64.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.32 112.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -93.93 105.19 17.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.3 t -89.91 45.11 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.365 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -134.27 73.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.525 HD13 ' CG ' ' A' ' 38' ' ' PRO . 2.6 pp -40.66 130.42 2.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.513 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -112.6 115.97 29.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.408 HG23 ' N ' ' A' ' 63' ' ' ALA . 8.8 tp -79.9 -48.76 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.408 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -42.87 102.19 0.27 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 130.84 13.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.566 1.824 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 66' ' ' SER . . . 174.53 -53.54 0.14 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.681 ' HA ' HG23 ' A' ' 32' ' ' VAL . 4.6 p 165.03 99.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 0.731 . . . . 0.0 110.07 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.513 ' CE1' ' HB3' ' A' ' 61' ' ' ALA . 0.8 OUTLIER -37.42 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.7 p90 178.75 174.77 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.41 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -121.63 156.22 33.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 110.022 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 69' ' ' SER . 7.7 m -151.95 136.82 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.4 m -91.37 142.72 27.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.428 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.864 HD13 ' CE2' ' A' ' 78' ' ' TYR . 67.8 mt -117.4 172.89 7.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -154.65 -52.29 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.563 1.164 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.98 124.4 6.68 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 140.61 25.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.46 -177.26 20.53 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.9 t -105.0 124.3 49.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 110.371 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.864 ' CE2' HD13 ' A' ' 72' ' ' LEU . 21.7 m-85 -98.08 141.6 30.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.3 m -119.26 149.2 42.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.003 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.582 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 18.5 p90 -163.22 -178.02 5.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -161.27 -175.98 5.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.542 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 7.3 t -128.03 95.61 4.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.535 ' C ' ' O ' ' A' ' 82' ' ' CYS . 0.8 OUTLIER -26.88 -57.96 0.2 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.42 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.579 ' O ' ' CG ' ' A' ' 85' ' ' HIS . 18.6 Cg_endo -75.0 126.03 9.71 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 84' ' ' PRO . 2.0 m80 87.78 -4.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.629 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.5 ptt85 -39.85 -40.77 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.339 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.67 -39.28 56.11 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.541 1.15 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -59.81 -17.25 34.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 0.802 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.06 84.53 1.66 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.462 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 5.0 ttt -137.13 82.77 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 0.768 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 30.7 m -120.84 147.28 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.582 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -147.69 155.79 26.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 78' ' ' TYR . 1.3 m -134.18 159.42 40.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 0.796 . . . . 0.0 110.374 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.794 HG12 HD23 ' A' ' 21' ' ' LEU . 58.6 mt -141.67 130.97 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' ILE . 87.2 m -113.22 145.31 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.372 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.746 HG12 ' O ' ' A' ' 96' ' ' VAL . 3.6 t -127.11 76.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t 62.35 116.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.42 1.075 . . . . 0.0 109.984 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.853 HG21 HD21 ' A' ' 21' ' ' LEU . 22.5 m -111.51 172.4 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.589 1.181 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.46 154.24 39.58 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' ' 5' ' ' ILE . 4.5 mm -120.06 117.9 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.616 ' HG2' HG13 ' A' ' 32' ' ' VAL . 7.1 mttt -91.88 154.49 18.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.574 ' HG3' ' CD1' ' A' ' 16' ' ' TYR . 3.4 mpp? -129.04 109.21 11.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.27 133.56 8.0 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.536 HG23 ' HG ' ' A' ' 15' ' ' LEU . 4.4 p -96.34 154.99 16.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.34 -7.56 32.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -90.24 25.23 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 53.45 48.79 21.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.5 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -136.06 123.53 14.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.415 ' O ' ' HG2' ' A' ' 90' ' ' MET . 18.4 Cg_endo -74.98 111.17 3.27 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.467 1.772 . . . . 0.0 110.977 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.536 ' HG ' HG23 ' A' ' 9' ' ' THR . 0.8 OUTLIER -170.22 151.4 3.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.574 ' CD1' ' HG3' ' A' ' 7' ' ' MET . 46.0 m-85 -80.9 138.4 36.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 17.3 tt0 -131.67 126.65 21.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.462 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.99 -176.78 18.78 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.003 -0.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -92.36 26.32 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 19' ' ' LYS . . . 175.63 137.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.853 HD21 HG21 ' A' ' 3' ' ' VAL . 14.0 tp -142.22 150.01 40.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.52 ' O ' HG23 ' A' ' 23' ' ' ILE . 8.1 t -133.08 146.68 51.89 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.512 1.133 . . . . 0.0 109.99 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.662 HD13 ' CG2' ' A' ' 29' ' ' VAL . 30.5 pt -156.14 -174.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.6 m -118.05 169.56 9.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.079 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -69.27 104.34 2.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.22 -6.62 8.71 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.453 ' HB2' HD12 ' A' ' 23' ' ' ILE . 9.5 m-20 -80.15 173.78 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 0.733 . . . . 0.0 109.311 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.0 m -121.89 154.94 36.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.411 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.741 HG11 HD13 ' A' ' 94' ' ' ILE . 85.6 t -135.9 107.7 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.39 168.05 15.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.412 ' CE2' HG21 ' A' ' 5' ' ' ILE . 46.3 m-85 -145.58 129.12 17.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.786 HG23 ' HA ' ' A' ' 66' ' ' SER . 9.9 p -131.55 136.71 56.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.4 ' SD ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -91.19 100.97 13.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.483 ' OD1' ' CE ' ' A' ' 6' ' ' LYS . 2.0 m-20 -56.69 -73.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 1.009 ' HD3' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -169.99 -170.39 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 1.009 HG23 ' HD3' ' A' ' 35' ' ' LYS . 21.9 t 68.29 15.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.577 ' HA2' ' CE1' ' A' ' 39' ' ' HIS . . . -69.36 -165.9 4.64 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.586 ' CB ' HD13 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.97 161.41 94.89 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 121.023 -2.49 . . . . 0.0 111.015 0.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.577 ' CE1' ' HA2' ' A' ' 37' ' ' GLY . 66.5 m-70 -131.9 -164.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.067 . . . . 0.0 109.616 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.578 ' HA ' ' CE2' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -178.48 -174.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 56' ' ' SER . 61.5 t -127.71 82.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.7 mm -103.78 74.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -38.04 157.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.062 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 2.4 t0 -90.26 -48.12 7.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 7.8 mtmt 168.23 150.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.91 HG22 ' HB2' ' A' ' 52' ' ' ALA . 33.6 m -130.24 158.55 73.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' ALA . 18.1 Cg_endo -75.03 161.33 38.85 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.448 1.762 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' PRO . . . -39.11 132.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.46 ' HA3' ' CG2' ' A' ' 74' ' ' THR . . . 139.16 -61.17 0.57 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -104.29 -172.26 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 0.733 . . . . 0.0 110.28 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.476 ' OG ' ' HB3' ' A' ' 54' ' ' ALA . 76.7 p -129.1 77.08 1.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.964 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.91 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -51.13 -51.04 71.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.733 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.98 51.14 2.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.476 ' HB3' ' OG ' ' A' ' 51' ' ' SER . . . -159.31 -45.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.9 mt -69.59 -29.06 66.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 2.1 m -47.63 104.87 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.122 . . . . 0.0 109.996 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -91.96 105.99 18.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.1 t -86.78 42.23 1.0 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -113.01 63.0 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.682 ' O ' HD12 ' A' ' 60' ' ' LEU . 2.1 pp -39.52 116.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.667 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -96.76 100.18 11.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.434 HD13 ' HG3' ' A' ' 38' ' ' PRO . 7.8 tp -67.26 -45.37 86.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.228 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.58 117.71 59.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 130.88 13.69 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.495 1.787 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.28 39.71 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.786 ' HA ' HG23 ' A' ' 32' ' ' VAL . 1.3 t 65.69 96.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 0.734 . . . . 0.0 109.995 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.667 ' CE1' ' HB3' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -38.0 -76.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.3 p90 179.9 174.83 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.951 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.465 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -123.52 155.3 37.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.946 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 69' ' ' SER . 11.0 m -153.73 136.44 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.4 m -90.24 148.46 22.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.0 mt -129.38 172.45 11.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.44 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . -151.33 -44.48 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.46 ' CG2' ' HA3' ' A' ' 49' ' ' GLY . 1.1 m -51.2 124.76 23.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.558 0.799 . . . . 0.0 110.389 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -75.07 141.14 26.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.97 -179.22 21.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.409 ' O ' ' CG2' ' A' ' 77' ' ' THR . 3.6 t -107.54 117.81 35.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 110.395 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.89 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.7 m-85 -92.63 134.81 34.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.77 145.06 43.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.566 ' CE2' ' HA3' ' A' ' 92' ' ' GLY . 0.5 OUTLIER -147.88 172.48 14.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CD1' ' HD2' ' A' ' 86' ' ' ARG . 5.8 p90 -166.43 171.43 11.93 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.567 1.167 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.15 149.28 23.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.353 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.533 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -80.67 -49.76 1.1 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.374 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -75.07 -45.38 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.551 1.816 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.832 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 64.5 m80 -84.52 9.45 13.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.63 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -43.48 -26.72 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 85' ' ' HIS . . . -102.59 -25.45 7.69 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.832 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . . . -62.24 -23.87 66.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.767 . . . . 0.0 109.228 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.98 54.35 1.4 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.431 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 3.4 mtp -113.11 82.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 0.799 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.545 HG12 ' HB3' ' A' ' 81' ' ' TYR . 29.0 m -121.92 164.87 18.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.566 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -155.67 172.46 33.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.586 1.179 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.404 ' N ' ' CZ ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -142.96 155.8 44.76 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 0.768 . . . . 0.0 110.384 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.741 HD13 HG11 ' A' ' 29' ' ' VAL . 72.0 mt -148.73 135.28 12.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 23' ' ' ILE . 46.6 m -113.98 142.89 45.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.737 HG12 ' O ' ' A' ' 96' ' ' VAL . 4.0 t -128.09 74.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.218 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' ILE . 4.3 mt-10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.4 m -90.39 153.36 20.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.048 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.825 HG21 HD11 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -122.17 176.72 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -147.39 161.43 41.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.507 ' HA ' HD13 ' A' ' 5' ' ' ILE . 4.1 mm -125.86 121.06 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.465 ' HG3' ' CG1' ' A' ' 32' ' ' VAL . 1.9 mtmt -93.43 141.76 28.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.406 ' SD ' ' CE1' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -117.4 100.84 7.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 107.76 140.89 9.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.718 ' CG2' HD11 ' A' ' 15' ' ' LEU . 1.6 p -103.25 163.97 11.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.586 0.815 . . . . 0.0 110.383 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -67.57 -8.81 37.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -91.2 32.12 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.43 ' C ' HG11 ' A' ' 36' ' ' VAL . 0.4 OUTLIER 44.44 26.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 111.049 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.91 125.57 31.32 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HB2' ' SD ' ' A' ' 90' ' ' MET . 18.4 Cg_endo -74.95 110.07 3.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.718 HD11 ' CG2' ' A' ' 9' ' ' THR . 1.3 pp -162.64 150.35 13.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.491 ' CE2' ' HE2' ' A' ' 90' ' ' MET . 31.1 m-85 -83.31 127.44 33.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 16.1 tt0 -124.33 126.23 25.54 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.401 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.0 -178.37 23.27 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.014 0.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 13.9 ptmt -92.33 24.52 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 19' ' ' LYS . . . 179.2 143.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.825 HD11 HG21 ' A' ' 3' ' ' VAL . 8.3 tp -147.31 144.09 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.759 ' H ' HD12 ' A' ' 21' ' ' LEU . 12.8 t -131.45 141.77 49.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.751 HD12 ' HB2' ' A' ' 27' ' ' ASP . 20.1 pt -151.33 -173.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.2 m -122.06 173.23 7.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.175 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -68.98 104.18 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.61 -6.82 7.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.751 ' HB2' HD12 ' A' ' 23' ' ' ILE . 4.4 m-20 -82.32 173.42 12.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 0.804 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.494 HG23 ' C ' ' A' ' 70' ' ' VAL . 30.5 m -124.68 157.95 34.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.413 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.046 HG11 ' CD1' ' A' ' 94' ' ' ILE . 65.2 t -131.83 111.74 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 5' ' ' ILE . 34.8 tt0 -90.5 163.31 14.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.442 ' CE1' HG12 ' A' ' 29' ' ' VAL . 47.9 m-85 -142.26 123.97 15.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.729 HG23 ' HA ' ' A' ' 66' ' ' SER . 3.8 p -123.89 157.36 30.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 109.395 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.3 ttm -107.82 128.96 55.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.15 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 1.8 m120 -87.1 -62.98 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.691 ' O ' HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -177.18 -161.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 35' ' ' LYS . 9.3 m 49.57 35.07 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.46 ' HA2' ' NE2' ' A' ' 39' ' ' HIS . . . -93.84 -165.64 37.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.483 ' HG3' HD11 ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.04 -176.68 18.6 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.013 0.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.468 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 61.9 m-70 -142.15 -148.93 0.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.566 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 178.97 177.99 0.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.6 t -126.7 71.42 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.623 HD12 ' OG1' ' A' ' 83' ' ' THR . 30.9 mt -94.93 90.76 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -55.71 156.33 5.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.3 t70 -88.81 -48.01 7.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER 166.97 144.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 1.028 HG22 ' HB2' ' A' ' 52' ' ' ALA . 6.1 m -128.15 153.76 78.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.553 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 18.2 Cg_endo -75.0 168.9 23.82 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.525 1.802 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 47' ' ' PRO . . . 74.09 -178.15 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.67 42.18 3.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.415 1.072 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.33 -171.6 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 0.761 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.912 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -122.08 74.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.999 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 1.028 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -75.35 -51.92 3.18 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.78 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -74.97 0.2 9.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.448 1.762 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.912 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -102.38 -52.47 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.7 mt -53.52 -33.61 55.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 m -40.52 160.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.015 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -158.88 99.01 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.597 ' CB ' HD11 ' A' ' 42' ' ' ILE . 15.2 t -87.15 43.0 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.416 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ALA . 4.6 tttt -109.17 91.37 3.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.29 95.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 1.186 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -83.82 96.5 8.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.157 . . . . 0.0 109.338 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.483 HD11 ' HG3' ' A' ' 38' ' ' PRO . 3.1 mm -74.83 -54.79 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -39.83 100.04 0.21 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -75.06 130.7 13.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 110.965 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.19 48.19 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.729 ' HA ' HG23 ' A' ' 32' ' ' VAL . 11.6 t 63.82 96.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 0.781 . . . . 0.0 110.032 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 1.186 ' CZ ' ' HB3' ' A' ' 61' ' ' ALA . 1.3 m-85 -37.45 -82.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -169.28 175.04 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -118.95 160.9 21.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.494 ' C ' HG23 ' A' ' 28' ' ' THR . 6.0 m -149.49 140.2 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.9 m -103.33 136.3 43.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.379 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.69 ' CD2' ' CE2' ' A' ' 78' ' ' TYR . 0.7 OUTLIER -115.84 172.39 7.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . -149.97 -56.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.455 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 19.4 m -53.27 136.37 50.2 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.486 0.756 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.04 147.29 33.57 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.467 1.772 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.37 179.6 20.93 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 t -113.25 121.4 44.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.773 . . . . 0.0 110.404 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.955 ' CD2' HG11 ' A' ' 46' ' ' VAL . 7.2 m-85 -96.82 130.55 44.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -117.17 142.73 46.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.014 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -142.6 171.09 14.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.685 ' HB3' HG12 ' A' ' 91' ' ' VAL . 11.2 p90 -157.46 170.01 23.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -91.3 146.82 23.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 108.284 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.623 ' OG1' HD12 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -75.24 -55.27 2.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 110.357 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.98 -35.51 3.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -102.19 69.69 1.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 109.615 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -98.62 -11.72 21.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -110.35 -27.58 4.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.64 -23.36 67.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.787 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.81 55.57 1.51 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.491 ' HE2' ' CE2' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -108.04 74.89 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.73 . . . . 0.0 111.032 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.685 HG12 ' HB3' ' A' ' 81' ' ' TYR . 22.6 m -127.77 146.92 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.604 ' O ' ' CE1' ' A' ' 80' ' ' PHE . . . -139.53 154.84 23.83 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.122 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.94 157.26 30.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.783 . . . . 0.0 110.423 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.046 ' CD1' HG11 ' A' ' 29' ' ' VAL . 74.7 mt -149.46 118.12 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' ILE . 82.6 m -101.5 144.17 30.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.416 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 96' ' ' VAL . 4.5 t -125.12 73.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 23' ' ' ILE . 6.7 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 m 65.36 82.77 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.866 HG21 HD11 ' A' ' 21' ' ' LEU . 1.7 m -112.32 177.22 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.168 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -144.67 160.4 41.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.514 HD13 ' HD2' ' A' ' 18' ' ' PRO . 10.4 mm -125.94 119.35 54.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.495 ' CE ' ' OD1' ' A' ' 34' ' ' ASN . 4.5 mttp -99.55 128.62 45.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.232 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.559 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 46.6 mtm -99.51 102.93 14.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 106.45 146.86 13.99 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.451 1.094 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.477 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 1.1 p -110.15 164.46 12.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.751 . . . . 0.0 110.42 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.425 ' HA ' ' CE ' ' A' ' 35' ' ' LYS . 10.2 t70 -63.5 -12.82 35.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' ALA . 4.3 mttt -90.69 37.98 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 38.53 29.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.564 ' HB1' HD23 ' A' ' 15' ' ' LEU . . . -102.55 116.25 63.09 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.525 ' CB ' ' CD2' ' A' ' 85' ' ' HIS . 18.2 Cg_endo -75.02 86.02 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.548 1.815 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.564 HD23 ' HB1' ' A' ' 13' ' ' ALA . 2.2 pp -144.25 152.78 41.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.559 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 5.3 m-85 -75.7 139.64 42.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 111.065 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 24.1 tt0 -144.07 126.42 8.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.514 ' HD2' HD13 ' A' ' 5' ' ' ILE . 18.3 Cg_endo -75.0 170.67 71.23 Favored 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.036 -2.485 . . . . 0.0 110.982 0.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -38.63 61.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.37 144.08 47.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.866 HD11 HG21 ' A' ' 3' ' ' VAL . 12.1 tp -143.8 142.7 31.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.565 1.166 . . . . 0.0 109.26 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.61 ' H ' HD12 ' A' ' 21' ' ' LEU . 7.7 t -132.26 144.26 50.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.951 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.784 HD12 ' HB2' ' A' ' 27' ' ' ASP . 11.1 pt -153.73 -176.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.17 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.5 m -117.8 168.5 10.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.423 1.077 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.77 103.71 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.37 -7.07 8.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.11 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.784 ' HB2' HD12 ' A' ' 23' ' ' ILE . 25.0 m-20 -78.44 175.44 10.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.437 HG23 ' C ' ' A' ' 70' ' ' VAL . 33.0 m -127.73 158.36 37.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.686 HG22 HG23 ' A' ' 3' ' ' VAL . 54.0 t -136.49 111.62 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 5' ' ' ILE . 13.9 tt0 -87.85 166.76 14.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.544 ' CE1' HG12 ' A' ' 29' ' ' VAL . 70.7 m-85 -145.03 130.68 18.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.756 HG23 ' HA ' ' A' ' 66' ' ' SER . 3.6 p -137.17 156.45 33.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.36 103.59 15.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -58.76 -70.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.573 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -173.57 -161.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 35' ' ' LYS . 12.9 p 47.33 44.1 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.411 ' HA2' ' CE1' ' A' ' 39' ' ' HIS . . . -90.18 -162.04 37.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.569 ' HB2' HD13 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.97 171.96 65.44 Favored 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.009 0.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.547 ' CE1' ' O ' ' A' ' 36' ' ' VAL . 86.4 m-70 -137.78 176.27 8.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.565 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 3.5 p30 -161.45 169.12 22.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.588 1.18 . . . . 0.0 109.233 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.8 t -113.58 110.03 30.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.251 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.4 mm -135.35 90.86 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -57.83 164.85 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -98.96 -51.5 3.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 mttp 171.79 147.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.835 HG11 ' CD2' ' A' ' 78' ' ' TYR . 4.1 m -133.87 155.77 79.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.593 1.183 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.62 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -74.98 166.35 29.41 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.795 ' CB ' HG21 ' A' ' 74' ' ' THR . . . 78.57 -178.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.38 42.51 3.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -77.99 -171.91 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.322 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.826 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -121.61 73.91 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.028 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.77 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . . . -74.83 -51.92 3.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -74.96 0.46 8.86 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.567 1.825 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.826 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -108.05 -42.11 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.81 -36.67 79.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.11 124.1 13.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.068 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -124.55 123.66 40.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.2 t -90.87 33.93 0.92 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -93.56 55.58 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.829 HD11 HD11 ' A' ' 62' ' ' ILE . 1.7 pp -45.73 137.86 5.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.422 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -103.36 120.01 39.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.829 HD11 HD11 ' A' ' 60' ' ' LEU . 18.4 mm -78.45 -46.92 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.51 147.47 49.64 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 164.62 32.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.0 -93.07 0.12 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.518 1.137 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.756 ' HA ' HG23 ' A' ' 32' ' ' VAL . 85.5 p 179.2 98.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 109.967 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.422 ' CE1' ' HB3' ' A' ' 61' ' ' ALA . 1.6 m-85 -37.33 -82.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 11.0 p90 177.57 177.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.875 ' O ' HG13 ' A' ' 70' ' ' VAL . 11.4 t -122.36 -179.75 4.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.012 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.875 HG13 ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -170.03 144.65 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.2 m -102.51 145.59 29.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.094 . . . . 0.0 110.419 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.4 mt -116.47 172.0 7.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.14 -48.06 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.57 1.169 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.795 HG21 ' CB ' ' A' ' 48' ' ' ALA . 22.9 m -64.56 129.51 94.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 110.479 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -75.01 148.34 35.13 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.28 -179.8 22.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.7 t -106.27 122.99 47.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.372 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.835 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.3 m-85 -98.41 139.15 34.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p -125.29 144.51 50.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.4 1.062 . . . . 0.0 110.074 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.583 ' CE1' ' C ' ' A' ' 92' ' ' GLY . 6.6 p90 -149.24 -173.12 4.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.062 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -166.59 174.95 8.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.546 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 52.0 t -121.11 99.81 6.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 108.282 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.545 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -27.14 -58.86 0.21 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.102 . . . . 0.0 110.415 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.546 ' HD2' ' SG ' ' A' ' 82' ' ' CYS . 18.5 Cg_endo -75.0 143.69 29.35 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.657 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 14.6 m80 85.46 -62.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER 37.88 -93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.268 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -45.2 -24.34 0.88 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.572 1.17 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.657 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . . . -60.46 -15.44 26.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.97 55.6 1.84 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.541 1.151 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.446 ' SD ' ' C ' ' A' ' 14' ' ' PRO . 1.3 ttt -117.42 65.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.733 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.5 m -119.01 146.4 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.583 ' C ' ' CE1' ' A' ' 80' ' ' PHE . . . -146.45 164.55 28.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -140.27 161.35 37.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.75 . . . . 0.0 110.383 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.789 HG12 HD23 ' A' ' 21' ' ' LEU . 95.4 mt -142.94 131.92 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' ILE . 41.4 m -115.07 142.53 46.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 96' ' ' VAL . 17.7 t -126.79 74.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.274 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.69 169.0 18.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.982 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.83 HG21 HD11 ' A' ' 21' ' ' LEU . 1.2 m -125.74 177.46 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -148.5 159.37 44.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.507 ' HB ' ' CD1' ' A' ' 31' ' ' PHE . 12.5 mm -125.07 107.89 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -89.3 139.1 30.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.415 ' HG2' ' CE ' ' A' ' 90' ' ' MET . 3.5 mtm -108.86 101.51 10.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.445 ' O ' ' ND2' ' A' ' 34' ' ' ASN . . . 117.86 145.31 7.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.686 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 14.9 p -110.15 158.6 18.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 110.39 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -60.58 -15.16 25.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -90.51 38.96 0.96 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 40.16 28.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.686 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -104.08 116.21 61.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.437 ' HB2' ' CB ' ' A' ' 85' ' ' HIS . 18.3 Cg_endo -75.06 92.66 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.567 1.825 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.788 HD23 ' N ' ' A' ' 16' ' ' TYR . 6.9 tt -142.08 172.24 12.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.788 ' N ' HD23 ' A' ' 15' ' ' LEU . 5.2 m-85 -96.37 127.86 42.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.074 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.474 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 18.9 tt0 -132.95 130.53 21.53 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.4 1.063 . . . . 0.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.496 ' HD2' HD13 ' A' ' 5' ' ' ILE . 18.1 Cg_endo -75.03 150.94 96.22 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.009 0.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.73 -39.94 19.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.26 148.27 48.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.83 HD11 HG21 ' A' ' 3' ' ' VAL . 5.9 tp -139.55 140.39 37.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.813 ' N ' HD12 ' A' ' 21' ' ' LEU . 16.2 t -128.87 141.27 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.618 1.199 . . . . 0.0 109.952 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.632 HG13 HG22 ' A' ' 96' ' ' VAL . 15.0 pt -150.72 -176.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.805 ' HA ' ' OXT' ' A' ' 97' ' ' GLU . 8.7 m -121.76 161.94 21.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.041 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.54 105.82 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.7 -7.98 8.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.544 ' HB2' HD12 ' A' ' 23' ' ' ILE . 9.2 m-20 -82.17 173.83 11.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.789 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.0 m -122.66 155.87 35.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.474 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.895 HG11 HD13 ' A' ' 94' ' ' ILE . 85.2 t -129.38 107.08 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 5' ' ' ILE . 1.3 tt0 -84.99 166.01 17.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.507 ' CD1' ' HB ' ' A' ' 5' ' ' ILE . 73.2 m-85 -142.92 123.94 14.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.142 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -122.59 151.28 26.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.521 ' HG2' ' CD2' ' A' ' 39' ' ' HIS . 1.9 ttp -103.62 83.95 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.985 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -40.39 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.363 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.608 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -169.43 -162.8 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 35' ' ' LYS . 12.9 p 48.14 46.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.6 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -90.99 -163.3 38.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.551 ' HB3' HD13 ' A' ' 62' ' ' ILE . 18.4 Cg_endo -74.99 174.95 50.02 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.026 -2.489 . . . . 0.0 111.005 -0.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.6 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 66.3 m-70 -132.51 -172.01 2.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.623 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.634 ' ND2' HD12 ' A' ' 42' ' ' ILE . 6.6 p-10 -169.95 -175.71 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.0 t -133.89 108.32 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.672 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 59.4 mt -137.98 104.04 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -74.38 166.26 23.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -97.53 -54.34 3.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.607 1.192 . . . . 0.0 109.311 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 mttt 177.85 148.56 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 1.043 HG11 ' CD2' ' A' ' 78' ' ' TYR . 9.6 m -130.8 156.2 80.29 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.487 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -75.05 -178.07 3.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 111.044 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.624 ' HB3' HG21 ' A' ' 74' ' ' THR . . . 70.97 -177.86 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.222 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.2 37.32 3.41 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.17 -172.93 4.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 0.761 . . . . 0.0 110.345 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.507 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 4.1 m -123.49 74.35 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 1.087 . . . . 0.0 110.09 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 1.041 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -63.25 -52.34 62.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.774 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -75.05 50.48 2.55 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.522 1.801 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.507 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -155.6 -45.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.25 -20.91 63.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 p -58.11 144.83 38.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.958 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -135.96 113.13 10.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.7 t -90.12 24.92 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.452 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.6 74.54 10.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.54 114.81 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.774 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -91.24 110.94 22.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.242 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.551 HD13 ' HB3' ' A' ' 38' ' ' PRO . 9.4 mm -75.31 -50.22 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.45 114.5 14.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 141.92 27.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.793 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.39 -73.16 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.0 t -173.49 104.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 109.98 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.774 ' CE1' ' HB3' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -45.32 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.8 p90 177.93 176.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.86 159.55 24.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 m -151.48 136.8 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.9 m -97.4 142.41 29.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.4 mt -129.43 172.48 11.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.48 -51.04 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 0.0 111.022 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.624 HG21 ' HB3' ' A' ' 48' ' ' ALA . 2.5 m -41.69 123.08 2.38 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.507 0.769 . . . . 0.0 110.4 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.97 141.55 26.87 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.63 -179.05 20.05 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.4 m -103.9 127.02 51.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 110.449 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 1.043 ' CD2' HG11 ' A' ' 46' ' ' VAL . 6.5 m-85 -102.73 135.58 44.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.4 m -114.32 145.12 42.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.048 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.599 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 8.6 p90 -156.05 179.31 9.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.672 ' CZ ' HG22 ' A' ' 42' ' ' ILE . 7.4 p90 -154.89 -174.77 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.517 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 11.3 t -131.48 101.05 5.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.238 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.569 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -31.55 -59.97 0.33 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.586 ' C ' ' CG ' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -74.99 128.53 11.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.586 ' CG ' ' C ' ' A' ' 84' ' ' PRO . 1.9 m80 87.39 -2.98 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -38.29 -52.71 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -68.22 -34.64 81.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -61.49 -14.77 31.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.398 0.705 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.52 91.18 1.39 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.438 ' SD ' ' CA ' ' A' ' 15' ' ' LEU . 3.6 ttt -148.07 93.41 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.387 0.698 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.7 m -132.88 147.39 31.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.599 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -146.69 154.57 26.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.547 1.154 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -128.2 158.27 38.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.348 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.895 HD13 HG11 ' A' ' 29' ' ' VAL . 74.0 mt -142.99 123.6 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.366 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ILE . 94.1 m -109.07 146.6 33.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.447 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.748 HG12 ' O ' ' A' ' 96' ' ' VAL . 3.8 t -127.41 75.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.805 ' OXT' ' HA ' ' A' ' 24' ' ' SER . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p -87.36 167.5 13.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.819 ' CG2' HD21 ' A' ' 21' ' ' LEU . 13.6 m -112.6 176.8 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -148.46 152.03 36.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 110.282 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' GLU . 4.4 mm -115.53 112.76 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.462 ' HG2' ' CG1' ' A' ' 32' ' ' VAL . 26.9 mttt -81.85 141.6 33.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.641 ' HE1' ' CD1' ' A' ' 67' ' ' PHE . 3.1 mpp? -114.95 103.46 10.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 34' ' ' ASN . . . 104.59 143.26 12.07 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.58 1.175 . . . . 0.0 111.009 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.943 ' OG1' ' HB3' ' A' ' 13' ' ' ALA . 81.4 p -112.82 154.24 26.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.565 0.803 . . . . 0.0 110.396 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -61.08 -15.1 29.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -91.41 39.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 42.06 32.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.943 ' HB3' ' OG1' ' A' ' 9' ' ' THR . . . -107.73 103.0 47.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.422 ' C ' ' SD ' ' A' ' 90' ' ' MET . 18.2 Cg_endo -75.04 81.18 2.28 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.538 1.81 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.401 ' HA ' ' CG ' ' A' ' 90' ' ' MET . 3.6 pp -141.51 155.29 45.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -72.43 124.63 25.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 21.5 tt0 -119.91 125.38 27.4 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 18.1 Cg_endo -75.02 -174.11 13.54 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.985 -2.506 . . . . 0.0 110.924 0.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.48 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -91.58 23.54 3.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 19' ' ' LYS . . . 176.81 137.09 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.819 HD21 ' CG2' ' A' ' 3' ' ' VAL . 11.1 tp -138.34 143.48 39.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.829 ' HA ' HG22 ' A' ' 95' ' ' THR . 23.2 t -128.69 139.05 52.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.059 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.625 HG13 HG22 ' A' ' 96' ' ' VAL . 18.6 pt -145.87 -173.73 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.697 ' C ' HG13 ' A' ' 96' ' ' VAL . 11.2 m -119.83 175.2 6.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.936 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.15 101.94 3.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.23 1.52 9.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.479 ' HB2' HD12 ' A' ' 23' ' ' ILE . 5.6 m-20 -86.41 175.08 8.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.785 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.2 m -124.61 157.02 36.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.92 HG11 HD13 ' A' ' 94' ' ' ILE . 89.7 t -132.7 106.4 10.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 5' ' ' ILE . 3.3 tt0 -87.55 169.27 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CE1' HG12 ' A' ' 29' ' ' VAL . 49.9 m-85 -146.63 127.74 14.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 111.009 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.462 ' CG1' ' HG2' ' A' ' 6' ' ' LYS . 3.5 p -128.14 142.82 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -91.51 116.1 28.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 2.0 m120 -75.47 -68.19 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.691 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -170.57 -167.58 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.691 HG12 ' O ' ' A' ' 35' ' ' LYS . 8.8 p 49.74 41.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.222 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.597 ' HA2' ' CD2' ' A' ' 39' ' ' HIS . . . -89.52 -162.74 38.69 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.147 . . . . 0.0 111.072 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -179.84 28.07 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.026 0.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.597 ' CD2' ' HA2' ' A' ' 37' ' ' GLY . 52.0 m-70 -135.75 -173.38 3.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.636 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.481 ' ND2' ' CG1' ' A' ' 42' ' ' ILE . 50.6 p-10 -164.63 -172.21 2.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.3 t -136.08 90.48 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.659 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 10.8 mm -119.63 112.35 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -76.98 159.73 29.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 1.7 t0 -91.61 -49.3 6.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.534 1.146 . . . . 0.0 109.393 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 2.2 mtmt 168.58 144.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 1.033 ' CG1' ' HB2' ' A' ' 52' ' ' ALA . 10.2 m -123.09 157.91 59.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' ALA . 18.5 Cg_endo -74.98 163.78 34.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' PRO . . . -39.97 130.47 2.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 136.03 -66.15 0.56 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.501 ' HB3' HG21 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -97.18 -175.33 3.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 0.745 . . . . 0.0 110.263 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.66 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -132.42 78.68 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 1.033 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . . . -54.44 -52.44 69.4 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.791 ' HD3' ' HB3' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.95 50.99 2.65 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.66 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -156.83 -45.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.51 -33.07 70.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -43.0 122.3 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -124.33 127.6 47.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.5 t -91.14 33.21 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 110.392 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -88.21 69.54 9.18 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.411 ' HA ' ' O ' ' A' ' 39' ' ' HIS . 0.4 OUTLIER -54.56 127.55 28.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -96.86 107.26 19.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.513 HD12 ' N ' ' A' ' 62' ' ' ILE . 1.7 mp -75.12 -51.81 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.82 144.15 98.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 131.57 14.53 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.03 -135.91 3.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -131.36 106.32 8.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 0.807 . . . . 0.0 109.984 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.641 ' CD1' ' HE1' ' A' ' 7' ' ' MET . 28.3 m-85 -37.4 -73.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 111.046 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.6 p90 175.22 174.61 0.23 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.541 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -117.19 164.01 15.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.008 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 69' ' ' SER . 0.9 OUTLIER -155.78 138.49 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 27' ' ' ASP . 90.5 m -99.27 152.32 20.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.392 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.726 HD22 ' CE2' ' A' ' 78' ' ' TYR . 1.6 mt -123.98 169.15 11.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.396 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -156.06 42.31 0.56 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.43 1.081 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -145.97 128.59 8.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.566 0.803 . . . . 0.0 110.385 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 18.5 Cg_endo -75.02 141.67 26.87 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.17 -179.89 18.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.4 t -106.34 122.98 47.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 110.378 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.726 ' CE2' HD22 ' A' ' 72' ' ' LEU . 21.8 m-30 -96.23 145.72 25.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.09 138.1 54.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.469 ' CZ ' ' C ' ' A' ' 92' ' ' GLY . 3.0 p90 -146.04 178.77 7.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.659 ' CZ ' HG22 ' A' ' 42' ' ' ILE . 14.3 p90 -155.12 175.25 14.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.539 ' SG ' ' HD2' ' A' ' 84' ' ' PRO . 8.7 t -124.05 99.61 6.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 108.32 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.544 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -30.65 -58.96 0.31 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.35 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.623 ' C ' ' CG ' ' A' ' 85' ' ' HIS . 18.5 Cg_endo -75.0 132.67 15.69 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.48 1.779 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.623 ' CG ' ' C ' ' A' ' 84' ' ' PRO . 0.1 OUTLIER 80.3 -3.94 1.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.617 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -42.37 -41.21 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.372 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.74 -36.97 88.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . -63.32 -14.67 52.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.66 79.97 1.37 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 14' ' ' PRO . 5.3 ttt -129.89 84.88 2.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 0.758 . . . . 0.0 111.034 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.8 m -124.62 147.66 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.469 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . -141.92 160.76 27.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.93 151.9 49.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 0.72 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.92 HD13 HG11 ' A' ' 29' ' ' VAL . 84.1 mt -143.97 117.85 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.829 HG22 ' HA ' ' A' ' 22' ' ' SER . 15.1 t -106.3 155.83 19.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.43 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.697 HG13 ' C ' ' A' ' 24' ' ' SER . 37.9 t -130.3 72.72 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.587 1.18 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_